Plasma Module

User’s Guide
Plasma Module User’s Guide
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Part number: CM021401

C o n t e n t s

Chapter 1: Introduction

About the Plasma Module 14

Why Plasma is Used in Modeling . . . . . . . . . . . . . . . . . 14
How the Plasma Module Helps Improve Your Modeling . . . . . . . . 15
Plasma Module Nomenclature . . . . . . . . . . . . . . . . . . 16
The Plasma Module Physics Interface Guide. . . . . . . . . . . . . 18
Common Physics Interface and Feature Settings and Nodes. . . . . . . 19
Where Do I Access the Documentation and Application Libraries? . . . . 20

Overview of the User’s Guide 24

Chapter 2: Data Required for Plasma Modeling

Data Requirements 28
Electron Impact Reactions . . . . . . . . . . . . . . . . . . . 28
Reaction . . . . . . . . . . . . . . . . . . . . . . . . . . 30
Surface Reaction . . . . . . . . . . . . . . . . . . . . . . . 30
Species . . . . . . . . . . . . . . . . . . . . . . . . . . 30

Importing Collision Cross-Section Data 33

Cross-Section Data File Format . . . . . . . . . . . . . . . . . 33
The File Format . . . . . . . . . . . . . . . . . . . . . . . 34
References for the Plasma Module Cross-Section Data Requirements . . . 36

Chapter 3: AC/DC Interfaces

The Electrostatics Interface 38

Domain, Boundary, Edge, Point, and Pair Nodes for the
Electrostatics Interface . . . . . . . . . . . . . . . . . . . 40
Charge Conservation . . . . . . . . . . . . . . . . . . . . . 43

CONTENTS |3
 Initial Values. . . . . . . . . . . . . . . . . . . . . . . . . 44
Space Charge Density . . . . . . . . . . . . . . . . . . . . . 44
Zero Charge . . . . . . . . . . . . . . . . . . . . . . . . 44
Ground . . . . . . . . . . . . . . . . . . . . . . . . . . 44
Electric Potential . . . . . . . . . . . . . . . . . . . . . . . 45
Surface Charge Density . . . . . . . . . . . . . . . . . . . . 46
External Surface Charge Accumulation . . . . . . . . . . . . . . 47
Electric Displacement Field . . . . . . . . . . . . . . . . . . . 47
Periodic Condition . . . . . . . . . . . . . . . . . . . . . . 48
Thin Low Permittivity Gap . . . . . . . . . . . . . . . . . . . 48
Surface Charge Accumulation . . . . . . . . . . . . . . . . . . 49
Dielectric Shielding . . . . . . . . . . . . . . . . . . . . . . 50
Terminal . . . . . . . . . . . . . . . . . . . . . . . . . . 50
Floating Potential . . . . . . . . . . . . . . . . . . . . . . . 52
Distributed Capacitance . . . . . . . . . . . . . . . . . . . . 54
Line Charge . . . . . . . . . . . . . . . . . . . . . . . . . 54
Line Charge (on Axis) . . . . . . . . . . . . . . . . . . . . . 55
Line Charge (Out-of-Plane) . . . . . . . . . . . . . . . . . . . 55
Point Charge . . . . . . . . . . . . . . . . . . . . . . . . 56
Point Charge (on Axis) . . . . . . . . . . . . . . . . . . . . 57
Change Cross Section . . . . . . . . . . . . . . . . . . . . . 57
Change Thickness (Out-of-Plane). . . . . . . . . . . . . . . . . 58
Charge Conservation, Piezoelectric . . . . . . . . . . . . . . . . 58
Metal Contact . . . . . . . . . . . . . . . . . . . . . . . . 59
Dielectric Contact . . . . . . . . . . . . . . . . . . . . . . 60
Electrostatic Point Dipole . . . . . . . . . . . . . . . . . . . 60

The Electric Currents Interface 61

Domain, Boundary, Edge, Point, and Pair Nodes for the Electric
Currents Interface . . . . . . . . . . . . . . . . . . . . . 63
Current Conservation . . . . . . . . . . . . . . . . . . . . . 65
Initial Values. . . . . . . . . . . . . . . . . . . . . . . . . 67
External Current Density. . . . . . . . . . . . . . . . . . . . 67
Current Source . . . . . . . . . . . . . . . . . . . . . . . 68
Electric Insulation . . . . . . . . . . . . . . . . . . . . . . 68
Floating Potential . . . . . . . . . . . . . . . . . . . . . . . 69
Boundary Current Source . . . . . . . . . . . . . . . . . . . 70
Normal Current Density . . . . . . . . . . . . . . . . . . . . 71

4 | CONTENTS
Distributed Impedance. . . . . . . . . . . . . . . . . . . . . 72
Terminal . . . . . . . . . . . . . . . . . . . . . . . . . . 73
Contact Impedance . . . . . . . . . . . . . . . . . . . . . . 75
Sector Symmetry . . . . . . . . . . . . . . . . . . . . . . . 77
Line Current Source . . . . . . . . . . . . . . . . . . . . . 78
Line Current Source (on Axis). . . . . . . . . . . . . . . . . . 78
Point Current Source . . . . . . . . . . . . . . . . . . . . . 78
Point Current Source (on Axis) . . . . . . . . . . . . . . . . . 79
Piezoresistive Material . . . . . . . . . . . . . . . . . . . . . 80

The Electrical Circuit Interface 81

Ground Node . . . . . . . . . . . . . . . . . . . . . . . . 83
Resistor . . . . . . . . . . . . . . . . . . . . . . . . . . 83
Capacitor. . . . . . . . . . . . . . . . . . . . . . . . . . 84
Inductor . . . . . . . . . . . . . . . . . . . . . . . . . . 84
Voltage Source. . . . . . . . . . . . . . . . . . . . . . . . 84
Current Source . . . . . . . . . . . . . . . . . . . . . . . 85
Voltage-Controlled Voltage Source . . . . . . . . . . . . . . . . 87
Voltage-Controlled Current Source . . . . . . . . . . . . . . . . 87
Current-Controlled Voltage Source . . . . . . . . . . . . . . . . 88
Current-Controlled Current Source . . . . . . . . . . . . . . . 88
Subcircuit Definition . . . . . . . . . . . . . . . . . . . . . 89
Subcircuit Instance . . . . . . . . . . . . . . . . . . . . . . 89
NPN BJT and PNP BJT. . . . . . . . . . . . . . . . . . . . . 89
n-Channel MOSFET and p-Channel MOSFET . . . . . . . . . . . . 90
Mutual Inductance . . . . . . . . . . . . . . . . . . . . . . 91
Transformer. . . . . . . . . . . . . . . . . . . . . . . . . 91
Diode . . . . . . . . . . . . . . . . . . . . . . . . . . . 92
External I vs. U . . . . . . . . . . . . . . . . . . . . . . . 92
External U vs. I . . . . . . . . . . . . . . . . . . . . . . . 93
External I-Terminal . . . . . . . . . . . . . . . . . . . . . . 94
SPICE Circuit Import . . . . . . . . . . . . . . . . . . . . . 95
SPICE Circuit Export . . . . . . . . . . . . . . . . . . . . . 95

Theory for the Electrostatics Interface 97

Charge Relaxation Theory . . . . . . . . . . . . . . . . . . . 97
Electrostatics Equations . . . . . . . . . . . . . . . . . . . . 99
The Electrostatics Interface in Time Dependent or Frequency

CONTENTS |5
 Domain Studies . . . . . . . . . . . . . . . . . . . . . 100

Theory for the Electric Currents Interface 101

Electric Currents Equations in Steady State . . . . . . . . . . . . 101
Dynamic Electric Currents Equations . . . . . . . . . . . . . . 102

Theory for the Electrical Circuit Interface 103

Electric Circuit Modeling and the Semiconductor Device Models. . . . 103
Bipolar Transistors . . . . . . . . . . . . . . . . . . . . . 104
MOSFET Transistors . . . . . . . . . . . . . . . . . . . . 107
Diode . . . . . . . . . . . . . . . . . . . . . . . . . . 110
Reference for the Electrical Circuit Interface . . . . . . . . . . . 112

Connecting to Electrical Circuits 113

About Connecting Electrical Circuits to Physics Interfaces . . . . . . 113
Connecting Electrical Circuits Using Predefined Couplings . . . . . . 114
Connecting Electrical Circuits by User-Defined Couplings . . . . . . 114
Solving . . . . . . . . . . . . . . . . . . . . . . . . . . 115
Postprocessing. . . . . . . . . . . . . . . . . . . . . . . 116

Spice Import 117

SPICE Import . . . . . . . . . . . . . . . . . . . . . . . 117
SPICE Export . . . . . . . . . . . . . . . . . . . . . . . 118
Reference for SPICE Import and Export . . . . . . . . . . . . . 118

Chapter 4: Fluid Flow Interface

The Single-Phase Flow, Laminar Flow Interface 120

The Laminar Flow Interface . . . . . . . . . . . . . . . . . . 120
Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow . . . . 124
Fluid Properties . . . . . . . . . . . . . . . . . . . . . . 124
Volume Force . . . . . . . . . . . . . . . . . . . . . . 126
Initial Values. . . . . . . . . . . . . . . . . . . . . . . . 126
Wall. . . . . . . . . . . . . . . . . . . . . . . . . . . 127
Inlet . . . . . . . . . . . . . . . . . . . . . . . . . . . 129
Outlet . . . . . . . . . . . . . . . . . . . . . . . . . . 132

6 | CONTENTS
Symmetry . . . . . . . . . . . . . . . . . . . . . . . . 133
Open Boundary . . . . . . . . . . . . . . . . . . . . . . 134
Boundary Stress . . . . . . . . . . . . . . . . . . . . . . 135
Vacuum Pump . . . . . . . . . . . . . . . . . . . . . . . 136
Periodic Flow Condition . . . . . . . . . . . . . . . . . . . 137
Pipe Connection . . . . . . . . . . . . . . . . . . . . . . 138
Flow Continuity . . . . . . . . . . . . . . . . . . . . . . 138
Pressure Point Constraint . . . . . . . . . . . . . . . . . . 139
Point Mass Source . . . . . . . . . . . . . . . . . . . . . 140
Line Mass Source . . . . . . . . . . . . . . . . . . . . . . 140
Gravity . . . . . . . . . . . . . . . . . . . . . . . . . 141

Theory for the Single-Phase Flow Laminar Interface 142

General Single-Phase Flow Theory . . . . . . . . . . . . . . . 143
Compressible Flow . . . . . . . . . . . . . . . . . . . . . 145
Weakly Compressible Flow . . . . . . . . . . . . . . . . . . 145
The Mach Number Limit . . . . . . . . . . . . . . . . . . . 145
Incompressible Flow . . . . . . . . . . . . . . . . . . . . 146
The Reynolds Number. . . . . . . . . . . . . . . . . . . . 147
The Boussinesq Approximation . . . . . . . . . . . . . . . . 147
Theory for the Wall Boundary Condition . . . . . . . . . . . . 148
Prescribing Inlet and Outlet Conditions . . . . . . . . . . . . . 151
Laminar Inflow . . . . . . . . . . . . . . . . . . . . . . . 153
Laminar Outflow . . . . . . . . . . . . . . . . . . . . . . 153
Mass Flow . . . . . . . . . . . . . . . . . . . . . . . . 154
No Viscous Stress . . . . . . . . . . . . . . . . . . . . . 155
Normal Stress Boundary Condition . . . . . . . . . . . . . . . 156
Pressure Boundary Condition . . . . . . . . . . . . . . . . . 156
Vacuum Pump Boundary Condition . . . . . . . . . . . . . . . 158
Mass Sources for Fluid Flow. . . . . . . . . . . . . . . . . . 159
Numerical Stability — Stabilization Techniques for Fluid Flow . . . . . 161
Solvers for Laminar Flow . . . . . . . . . . . . . . . . . . . 163
Pseudo Time Stepping for Laminar Flow Models . . . . . . . . . . 166
Discontinuous Galerkin Formulation . . . . . . . . . . . . . . 167
Particle Tracing in Fluid Flow . . . . . . . . . . . . . . . . . 167
References for the Single-Phase Flow, Laminar Flow Interfaces. . . . . 168

CONTENTS |7
 Chapter 5: The Boltzmann Equation,
Tw o - Te r m A p p r ox i m a t i o n I n t e r f a c e

The Boltzmann Equation, Two-Term Approximation Interface 172

Domain, Boundary, and Pair Nodes for the Boltzmann Equation,
Two-Term Approximation Interface . . . . . . . . . . . . . 175
Boltzmann Model. . . . . . . . . . . . . . . . . . . . . . 176
Initial Values. . . . . . . . . . . . . . . . . . . . . . . . 177
Collision . . . . . . . . . . . . . . . . . . . . . . . . . 178
Boundary Settings . . . . . . . . . . . . . . . . . . . . . 179
Zero Energy Flux . . . . . . . . . . . . . . . . . . . . . . 179
Zero Probability . . . . . . . . . . . . . . . . . . . . . . 179

Theory for the Boltzmann Equation, Two-Term Approximation

Interface 180
The Electron Energy Distribution Function . . . . . . . . . . . . 180
Boltzmann Equation, Two-Term Approximation . . . . . . . . . . 181
References for the Boltzmann Equation, Two-Term Approximation
Interface. . . . . . . . . . . . . . . . . . . . . . . . 187

Chapter 6: The Drift Diffusion Interface

The Drift Diffusion Interface 190

Domain, Boundary, and Pair Nodes for the Drift Diffusion Interface . . 193
Drift Diffusion Model . . . . . . . . . . . . . . . . . . . . 194
Initial Values. . . . . . . . . . . . . . . . . . . . . . . . 197
Electron Production Rate. . . . . . . . . . . . . . . . . . . 197
General Power Deposition . . . . . . . . . . . . . . . . . . 198
Velocity . . . . . . . . . . . . . . . . . . . . . . . . . 198
Inductive Power Deposition. . . . . . . . . . . . . . . . . . 198
Microwave Power Deposition . . . . . . . . . . . . . . . . . 198
Insulation . . . . . . . . . . . . . . . . . . . . . . . . . 199
Electron Density and Energy . . . . . . . . . . . . . . . . . 199
Wall. . . . . . . . . . . . . . . . . . . . . . . . . . . 199
Flux . . . . . . . . . . . . . . . . . . . . . . . . . . . 201

8 | CONTENTS
 Electron Outlet . . . . . . . . . . . . . . . . . . . . . . 201

Theory for the Drift Diffusion Interface 202

Introduction to Drift Diffusion Theory . . . . . . . . . . . . . 202
Electron Transport Theory . . . . . . . . . . . . . . . . . . 204
Source Coefficients . . . . . . . . . . . . . . . . . . . . . 206
Stabilization . . . . . . . . . . . . . . . . . . . . . . . . 207
Tensor Transport Properties . . . . . . . . . . . . . . . . . 207
The Wall Boundary Condition . . . . . . . . . . . . . . . . . 208
The Insulation Boundary Condition . . . . . . . . . . . . . . . 209
The Electron Density and Energy Boundary Condition . . . . . . . 210
Reference for the Drift Diffusion Interface . . . . . . . . . . . . 210

C h a p t e r 7 : T h e H e av y S p e c i e s Tr a n s p o r t I n t e r f a c e

The Heavy Species Transport Interface 212

Domain, Boundary, and Pair Nodes for the Heavy Species Transport
Interface. . . . . . . . . . . . . . . . . . . . . . . . 217
Cross Section Import . . . . . . . . . . . . . . . . . . . . 218
Diffusion and Migration . . . . . . . . . . . . . . . . . . . 218
Electron Impact Reaction . . . . . . . . . . . . . . . . . . . 220
Reaction . . . . . . . . . . . . . . . . . . . . . . . . . 223
Species . . . . . . . . . . . . . . . . . . . . . . . . . 225
Surface Reaction . . . . . . . . . . . . . . . . . . . . . . 229
Surface Species . . . . . . . . . . . . . . . . . . . . . . 230
Flux . . . . . . . . . . . . . . . . . . . . . . . . . . . 231
Inlet . . . . . . . . . . . . . . . . . . . . . . . . . . . 232
Outflow . . . . . . . . . . . . . . . . . . . . . . . . . 233
Symmetry . . . . . . . . . . . . . . . . . . . . . . . . 233

Theory for the Heavy Species Transport Interface 234

About the Transport Equations . . . . . . . . . . . . . . . . 234
Multicomponent Diffusion Equations . . . . . . . . . . . . . . 235
Additional Quantities of Interest . . . . . . . . . . . . . . . . 238
Auxiliary Relations . . . . . . . . . . . . . . . . . . . . . 239
Source Coefficients . . . . . . . . . . . . . . . . . . . . . 240

CONTENTS |9
 Thermodynamic Properties . . . . . . . . . . . . . . . . . . 241
Species Transport Properties . . . . . . . . . . . . . . . . . 242
Mixture Transport Properties . . . . . . . . . . . . . . . . . 243
Scaling . . . . . . . . . . . . . . . . . . . . . . . . . . 244
Stabilization . . . . . . . . . . . . . . . . . . . . . . . . 245
Surface Reactions . . . . . . . . . . . . . . . . . . . . . 245
Flux Matching . . . . . . . . . . . . . . . . . . . . . . . 247
About Surface Species . . . . . . . . . . . . . . . . . . . . 248
Limitations of the Heavy Species Transport Equations . . . . . . . . 249
Global Model . . . . . . . . . . . . . . . . . . . . . . . 249
References for the Heavy Species Transport Interface . . . . . . . . 252

Chapter 8: Plasma Interfaces

The Plasma Interface 256

Domain, Boundary, Edge, Point, and Pair Nodes for the Plasma
Interface. . . . . . . . . . . . . . . . . . . . . . . . 263
Plasma Model . . . . . . . . . . . . . . . . . . . . . . . 264
Initial Values. . . . . . . . . . . . . . . . . . . . . . . . 269

The Inductively Coupled Plasma Interface 270

Plasma Conductivity Coupling . . . . . . . . . . . . . . . . . 271
Electron Heat Source . . . . . . . . . . . . . . . . . . . . 271
Collisionless Heating . . . . . . . . . . . . . . . . . . . . 271

The Microwave Plasma Interface 273

Plasma Reactors Theory 274

Capacitively Coupled Plasmas 277

Computing the DC Bias . . . . . . . . . . . . . . . . . . . 278

DC Discharges 280
Introduction to DC Discharge Theory. . . . . . . . . . . . . . 280
DC Discharge Boundary Conditions . . . . . . . . . . . . . . 281
Tips for Modeling DC Discharges . . . . . . . . . . . . . . . 282

10 | C O N T E N T S
 Theory for Inductively Coupled Plasmas 283
Introduction to Inductively Coupled Plasmas . . . . . . . . . . . 283
Domain Equations for the Inductively Coupled Plasma Interface . . . . 285

Theory for Microwave Plasmas 287

Introduction . . . . . . . . . . . . . . . . . . . . . . . 287
Wave Heated Discharge Theory . . . . . . . . . . . . . . . . 287
Plasma Conductivity in the Presence of a Static Magnetic Field. . . . . 294
References . . . . . . . . . . . . . . . . . . . . . . . . 295

Theory for Global Models 296

Introduction . . . . . . . . . . . . . . . . . . . . . . . 296
References for the Heavy Species Transport Interface . . . . . . . . 299

Chapter 9: Equilibrium Discharges Interfaces

The Equilibrium DC Discharge Interface 302

Equilibrium Discharge Heat Source . . . . . . . . . . . . . . . 304
Flow Coupling . . . . . . . . . . . . . . . . . . . . . . . 306
Equilibrium Discharge Boundary Heat Source . . . . . . . . . . . 307

The Combined Inductive/DC Discharge Interface 309

Static Current Density Component . . . . . . . . . . . . . . . 312
Induction Current Density Component . . . . . . . . . . . . . 313
Lorentz Force . . . . . . . . . . . . . . . . . . . . . . . 314

The Equilibrium Inductively Coupled Plasma Interface 316

Equilibrium Discharges Theory 320

Summary of the Equilibrium Discharge Interfaces Features 326

References . . . . . . . . . . . . . . . . . . . . . . . . 326

CONTENTS | 11
12 | C O N T E N T S
 1

Introduction

This guide describes the Plasma Module, an optional add-on package that extends
the COMSOL Multiphysics® modeling environment with customized physics
interfaces and functionality optimized for the analysis of non-equilibrium
discharges.

This chapter introduces you to the capabilities of this module. A summary of the
physics interfaces and where you can find documentation and model examples is
also included. The last section is a brief overview with links to each chapter in this
guide.

• About the Plasma Module

• Overview of the User’s Guide

13
 About the Plasma Module
The Plasma Module provides a set of user interfaces which are used to define the
physics, boundary conditions and material properties which collectively constitute a
plasma. Electron transport is modeled with a pair of drift-diffusion equations, one for
the electron density and another for the electron energy. Motion of the non-electron
species is governed by a modified form of the Maxwell-Stefan equations. Poisson’s
equation is solved to compute the plasma potential. Additional heating mechanisms,
such as induction heating or wave heating can be included by solving Ampere’s law or
the wave equation.

In this section:

• Why Plasma is Used in Modeling

• How the Plasma Module Helps Improve Your Modeling
• Plasma Module Nomenclature
• The Plasma Module Physics Interface Guide
• Common Physics Interface and Feature Settings and Nodes
• Where Do I Access the Documentation and Application Libraries?

The Physics Interfaces and Building a COMSOL Multiphysics Model in

the COMSOL Multiphysics Reference Manual

Why Plasma is Used in Modeling

Low-temperature plasmas represent the amalgamation of fluid mechanics, reaction
engineering, physical kinetics, heat transfer, mass transfer, and electromagnetics. The
Plasma Module is a specialized tool for modeling non-equilibrium discharges which
occur in a wide range of engineering disciplines. There are specialized physics
interfaces for the most common types of plasma reactors including inductively coupled
plasmas (ICP), DC discharges, wave heated discharges (microwave plasmas), and
capacitively coupled plasmas (CCP).

Modeling the interaction between the plasma and an external circuit is an important
part of understanding the overall characteristics of a discharge. This module has tools
to add circuit elements directly to a 1D, 2D, or 3D model Component node, or import
an existing SPICE netlist into the model. The plasma chemistry is specified by loading

14 | CHAPTER 1: INTRODUCTION
in sets of collision cross sections from a file or by adding reactions and species to the
Model Builder. The complicated coupling between the different physics that constitute
a plasma is automatically handled by the included multiphysics interfaces.

How the Plasma Module Helps Improve Your Modeling

The Plasma Module is based on a series of scientific publications on numerical
modeling of non-equilibrium discharges. These papers are referenced throughout the
documentation. The physics interfaces can model low temperature, non-equilibrium
discharges such as:

• Inductively coupled plasmas (ICP) • Chemical vapor deposition (CVD)

• Capacitively coupled plasmas (CCP) • Plasma-enhanced chemical vapor
• Microwave plasmas deposition (PECVD)

• Light sources • Dielectric barrier discharges (DBD)

• Electrical breakdown • Electron cyclotron resonance (ECR)

• Space thrusters • Reactive gas generators

• DC discharges

The complexity of plasma modeling lies in the fact that it combines elements of
reaction engineering, statistical physics, fluid mechanics, physical kinetics, heat
transfer, mass transfer, and electromagnetics. The net result is a true multiphysics
problem involving complicated coupling between the different physics. The module is
designed to simplify the process of setting up a self-consistent model of a
low-temperature plasma.

The physics interfaces include all the necessary tools to model plasma discharges,
beginning with a Boltzmann Equation, Two-Term Approximation solver that
computes the electron transport properties and source coefficients from a set of
electron impact collision cross sections. This physics interface makes it possible to
determine many of the interesting characteristics of a discharge by providing input
properties such as the electric field and the electron impact reactions that make up the
plasma chemistry, without solving a space-dependent problem.

For space-dependent models, the reactions and species which make up the plasma
chemistry are conveniently managed in the Model Builder. When the fluid velocity and
gas temperature are of interest, there are physics interfaces available for laminar flow
and heat transfer. There are several options available when coupling the charged species

ABOUT THE PLASMA MODULE | 15

 transport to the electromagnetic fields. Poisson’s equation for the electrostatic
potential is always solved. Modeling inductively coupled plasmas where induction
currents are responsible for sustaining the plasma requires the AC/DC Module. For
wave-heated discharges (microwave plasmas), the RF Module is required.

Plasma Module Nomenclature

The Plasma Module has numerous variables and expressions used throughout the
documentation and in COMSOL Multiphysics. Table 1-1 lists the variable, its
description and its SI unit.
TABLE 1-1: NOMENCLATURE USED THROUGHOUT THE PLASMA MODULE DOCUMENTATION.

VARIABLE DESCRIPTION SI UNIT

ρ Gas density kg/m3

p Pressure Pa
T Temperature K
Mk Molecular weight, species k kg/mol
Mn Mean molar mass kg/mol
wk Mass fraction, species k 1
Wk Log of the mass fraction of species k -
xk Mole fraction, species k 1
Vk Multicomponent diffusion velocity, species k m/s
jk Diffusive flux vector, species k kg/(m2·s)
Dkj Binary diffusion coefficient m2/s
Dk,m Mixture averaged diffusion coefficient m2/s
T Multicomponent thermal diffusion coefficient kg/(m·s)
Dk

Dk,f Diffusion coefficient for species k m2/s

Zk Charge, species k 1
μk,m Mixture averaged mobility, species k m2/(V·s)
V Electric potential V
E Electric field V/m
R Universal gas constant J/(mol·K)
ck Molar concentration, species k mol/m3
rj Reaction rate, reaction j mol/(m3s)
kj Rate coefficient, reaction j m3/(mol·s)

16 | CHAPTER 1: INTRODUCTION
TABLE 1-1: NOMENCLATURE USED THROUGHOUT THE PLASMA MODULE DOCUMENTATION.

VARIABLE DESCRIPTION SI UNIT

Rk Rate expression, species k kg/(m3·s)

nk Number density, species k 1/m3
ν'kj Stoichiometric matrix, forward component 1
ν''kj Stoichiometric matrix, reverse component 1
νkj Total stoichiometric matrix 1
q Unit charge C
kB Boltzmann constant J/K
Rsurf,k Surface rate expression for species k mol/(m2·s)
γf Forward sticking coefficient 1
γi Secondary emission coefficient 1
εi Mean energy of secondary electrons V
ρk Mass concentration, species k kg/m3
u Mass averaged fluid velocity vector m/s
F Faraday’s constant s·A/mol
NA Avogadro constant 1/mol
vT Thermal drift velocity m/s
u Mass averaged velocity field, x/r-component m/s
v Mass averaged velocity field, y/z-component m/s
w Mass averaged velocity field, z-component m/s
σ Surface charge density C/m2
Γe Electron flux 1/(m2s)
qj Surface reaction rate, reaction j mol/(m2s)
Aj Frequency factor, reaction j m3/(mol·s)
βj Temperature exponent, reaction j 1
Ej Activation energy, reaction j J/mol
f(ε) Electron energy distribution function (EEDF) V-3/2
ε Electron energy V
ε, ϕ Mean electron energy V
μe Electron mobility m2/(V·s)
Nn Neutral number density 1/m3
μeNn Reduced electron mobility 1/(V·m·s)

ABOUT THE PLASMA MODULE | 17

 TABLE 1-1: NOMENCLATURE USED THROUGHOUT THE PLASMA MODULE DOCUMENTATION.

VARIABLE DESCRIPTION SI UNIT

θ Out-of-plane direction rad

Ip Plasma current A

The Plasma Module Physics Interface Guide

The Plasma Module extends the functionality of the physics interfaces of the base
package for COMSOL Multiphysics. The details of the physics interfaces and study
types for the Plasma Module are listed in the table. The functionality of the COMSOL
Multiphysics base package is given in the COMSOL Multiphysics Reference Manual.

In the COMSOL Multiphysics Reference Manual:

• Studies and Solvers

• The Physics Interfaces
• For a list of all the core physics interfaces included with a COMSOL
Multiphysics license, see Physics Interface Guide.

PHYSICS INTERFACE ICON TAG SPACE AVAILABLE PRESET STUDY

DIMENSION TYPE

AC/DC

Electrical Circuit cir Not space stationary; frequency

dependent domain; time dependent;
small signal analysis,
frequency domain
Electrostatics1 es all dimensions stationary; time dependent

Fluid Flow

Single-Phase Flow

Laminar Flow1 spf 3D, 2D, 2D stationary; time dependent

axisymmetric

18 | CHAPTER 1: INTRODUCTION
PHYSICS INTERFACE ICON TAG SPACE AVAILABLE PRESET STUDY
DIMENSION TYPE

Plasma

Drift Diffusion dd all dimensions time dependent

Heavy Species Transport hs all dimensions time dependent

Boltzmann Equation, be 1D frequency domain; mean

Two-Term Approximation energies; reduced electric
fields
Plasma plas all dimensions time dependent

Inductively Coupled — 3D, 2D, 2D frequency-transient

Plasma2, 4 axisymmetric.
Microwave Plasma3, 4 — 3D, 2D, 2D frequency-transient
axisymmetric
Equilibrium Discharges

Equilibrium DC — 3D, 2D, 2D stationary; time dependent

Discharge4 axisymmetric
Combined Inductive/ — 3D, 2D, 2D frequency-transient
DC Discharge2, 4 axisymmetric
Equilibrium Inductively — 3D, 2D, 2D frequency-transient
Coupled Plasma2, 4 axisymmetric
1 This physics interface is included with the core COMSOL package but has added
functionality for this module.
2
3D is available with the addition of the AC/DC Module.
3 Requires the addition of the RF Module.
4
This physics interface is a predefined multiphysics coupling that automatically adds all the
physics interfaces and coupling features required.

Common Physics Interface and Feature Settings and Nodes

There are several common settings and sections available for the physics interfaces and
feature nodes. Some of these sections also have similar settings or are implemented in

ABOUT THE PLASMA MODULE | 19

 the same way no matter the physics interface or feature being used. There are also some
physics feature nodes that display in COMSOL Multiphysics.

In each module’s documentation, only unique or extra information is included;

standard information and procedures are centralized in the COMSOL Multiphysics
Reference Manual.

In the COMSOL Multiphysics Reference Manual see Table 2-3 for

links to common sections and Table 2-4 to common feature nodes.
You can also search for information: press F1 to open the Help
window or Ctrl+F1 to open the Documentation window.

Where Do I Access the Documentation and Application Libraries?

A number of internet resources have more information about COMSOL, including
licensing and technical information. The electronic documentation, topic-based (or
context-based) help, and the application libraries are all accessed through the
COMSOL Desktop.

If you are reading the documentation as a PDF file on your computer,

the blue links do not work to open an application or content
referenced in a different guide. However, if you are using the Help
system in COMSOL Multiphysics, these links work to open other
modules (as long as you have a license), application examples, and
documentation sets.

THE DOCUMENTATION AND ONLINE HELP

The COMSOL Multiphysics Reference Manual describes the core physics interfaces
and functionality included with the COMSOL Multiphysics license. This book also has
instructions about how to use COMSOL Multiphysics and how to access the
electronic Documentation and Help content.

Opening Topic-Based Help

The Help window is useful as it is connected to many of the features on the GUI. To
learn more about a node in the Model Builder, or a window on the Desktop, click to
highlight a node or window, then press F1 to open the Help window, which then

20 | CHAPTER 1: INTRODUCTION
displays information about that feature (or click a node in the Model Builder followed
by the Help button ( ). This is called topic-based (or context) help.

To open the Help window:

• In the Model Builder, Application Builder, or Physics Builder click a node or

window and then press F1.
• On any toolbar (for example, Home, Definitions, or Geometry), hover the
mouse over a button (for example, Add Physics or Build All) and then
press F1.
• From the File menu, click Help ( ).
• In the upper-right corner of the COMSOL Desktop, click the Help ( )
button.

To open the Help window:

• In the Model Builder or Physics Builder click a node or window and then
press F1.
• On the main toolbar, click the Help ( ) button.
• From the main menu, select Help>Help.

Opening the Documentation Window

To open the Documentation window:

• Press Ctrl+F1.
• From the File menu select Help>Documentation ( ).

To open the Documentation window:

• Press Ctrl+F1.
• On the main toolbar, click the Documentation ( ) button.
• From the main menu, select Help>Documentation.

ABOUT THE PLASMA MODULE | 21

 THE APPLICATION LIBRARIES WINDOW
Each application includes documentation with the theoretical background and
step-by-step instructions to create a model application. The applications are available
in COMSOL as MPH-files that you can open for further investigation. You can use the
step-by-step instructions and the actual applications as a template for your own
modeling and applications. In most models, SI units are used to describe the relevant
properties, parameters, and dimensions in most examples, but other unit systems are
available.

Once the Application Libraries window is opened, you can search by name or browse
under a module folder name. Click to view a summary of the application and its
properties, including options to open it or a PDF document.

The Application Libraries Window in the COMSOL Multiphysics

Reference Manual.

Opening the Application Libraries Window

To open the Application Libraries window ( ):

• From the Home toolbar, Windows menu, click ( ) Applications

Libraries.
• From the File menu select Application Libraries.

To include the latest versions of model examples, from the File>Help

menu, select ( ) Update COMSOL Application Library.

Select Application Libraries from the main File> or Windows> menus.

To include the latest versions of model examples, from the Help menu
select ( ) Update COMSOL Application Library.

CONT ACT ING COMSOL BY EMAIL

For general product information, contact COMSOL at info@comsol.com.

To receive technical support from COMSOL for the COMSOL products, please
contact your local COMSOL representative or send your questions to

22 | CHAPTER 1: INTRODUCTION
support@comsol.com. An automatic notification and a case number are sent to you by
email.

COMSOL ONLINE RESOURCES

COMSOL website www.comsol.com

Contact COMSOL www.comsol.com/contact
Support Center www.comsol.com/support
Product Download www.comsol.com/product-download
Product Updates www.comsol.com/support/updates
COMSOL Blog www.comsol.com/blogs
Discussion Forum www.comsol.com/community
Events www.comsol.com/events
COMSOL Video Gallery www.comsol.com/video
Support Knowledge Base www.comsol.com/support/knowledgebase

ABOUT THE PLASMA MODULE | 23

 Overview of the User’s Guide
The Plasma Module User’s Guide gets you started with modeling using COMSOL
Multiphysics. The information in this guide is specific to this module. Instructions how
to use COMSOL in general are included with the COMSOL Multiphysics Reference
Manual.

As detailed in the section Where Do I Access the Documentation and

Application Libraries? this information can also be searched from the
COMSOL Multiphysics software Help menu.

TA B L E O F C O N T E N T S , G L O S S A R Y, A N D I N D E X
To help you navigate through this guide, see the Contents, Glossary of Terms, and
Index. See also Plasma Module Nomenclature in this chapter.

DATA REQUIREMENTS FOR PLASMA MODELING

The Data Required for Plasma Modeling chapter describes the Data Requirements to
model low-temperature plasmas. It gives an overview of the data you need to assemble
before attempting to model a plasma. It also includes the section Importing Collision
Cross-Section Data.

AC/DC INTERFACES
AC/DC Interfaces chapter describes the two physics interfaces available with this
module under the AC/DC branch when adding a physics interface. Use the
Electrostatics interface to compute the electrostatic field in the plasma caused by
separation of space charge between the electrons and ions. This module enhances the
physics interface included with the basic COMSOL Multiphysics license. Use the
Electrical Circuit interface to add an external electrical circuit to the plasma model.
Also see The Magnetic Fields Interface in the COMSOL Multiphysics Reference
Manual for information about this physics interface and its feature node settings.

FLUID FLOW INTERFACES

Fluid Flow Interface describes the Laminar Flow interface, which has a few additional
features available for this module.

24 | CHAPTER 1: INTRODUCTION
B O L T Z M A N N E Q U A T I O N , TW O - TE R M A P P R O X I M A T I O N I N T E R F A C E
The Boltzmann Equation, Two-Term Approximation Interface chapter describes the
physics interface, which computes the electron energy distribution function (EEDF)
from a set of collision cross sections for some mean discharge conditions. Additionally,
electron source coefficients and transport properties can be computed. 1D
components only. The underlying theory is included at the end of the chapter.

DRIFT DIFFUSION INTERFACE

The Drift Diffusion Interface chapter describes the underlying electron transport
theory for the Drift Diffusion interface and details the available features. Use the Drift
Diffusion interface to compute the electron density and mean electron energy for any
type of plasma. A wide range of boundary conditions are available to handle secondary
emission, thermionic emission, and wall losses. The underlying theory is included at
the end of the chapter.

THE HEAVY SPECIES INTERFACE

The Heavy Species Transport Interface chapter describes the physics interface, which
is a mass balance interface for all non-electron species. This includes charged, neutral,
and electronically excited species. The physics interface also allows you to add electron
impact reactions, chemical reactions, surface reactions, and species via the Model
Builder. The underlying theory is included at the end of the chapter.

THE PLASMA INTERFACES

Plasma Interfaces chapter describes the following multiphysics interfaces. The Plasma
Interface can be used to study discharges that are sustained by time-varying
electrostatic fields or static electric fields in conjunction with secondary electron
emission. Rate or Townsend coefficients can be used to define the collisional processes
occurring in the plasma. When rate coefficients are used, cross section data can be
imported, and the rate coefficient will be automatically computed. The Inductively
Coupled Plasma Interface is for studying discharges that are sustained by induction
currents. The induction currents are solved for in the frequency domain and all other
variables in the time domain. The electron heating due to the induction currents is
handled with two multiphysics features. The 3D components require the AC/DC
Module. The underlying theory for each physics interface is included at the end of the
chapter. The Microwave Plasma Interface requires the RF Module, and is used to study
discharges that are sustained by electromagnetic waves (wave-heated discharge).
Heating of the electrons due to their interaction with the electromagnetic waves is also
handled using multiphysics features. The electromagnetic waves are solved for in the
frequency domain. The underlying theory is included at the end of the chapter.

O V E R V I E W O F T H E U S E R ’S G U I D E | 25
 THE EQUILIBRIUM DISCHARGE INTERFACES
Equilibrium Discharges Interfaces chapter describes physics interfaces that can be used
to model plasma in or in close local thermodynamic equilibrium (LTE), that is, where
the electrons and heavy particles temperature are approximately equal. Close to LTE
conditions are usually observed at high pressure and/or under small values of electrical
fields.

26 | CHAPTER 1: INTRODUCTION
 2

Data Required for Plasma Modeling

Modeling of low-temperature plasmas is not only difficult because of the large

number of physical processes occurring but also because of the amount of data that
needs to be supplied to a model. This chapter gives an overview of the data you
need to assemble before attempting to model a plasma.

In this chapter:

• Data Requirements
• Importing Collision Cross-Section Data

27
 D a t a R e qui r e men t s
This section gives an overview of the data to be assembled before attempting to model
a plasma.

One of the main difficulties is to find a complete and physically correct chemical
mechanism for the plasma of interest. This can involve just a handful of reactions and
species (as for argon), or in the case of molecular gases there can be hundreds of
reactions and tens of hundreds of species. Often the chemical mechanism can be found
from a literature search, but if it is a unique plasma chemistry then the chemical
mechanism is likely unknown. The only option is to find a plasma chemistry that
exhibits similar properties to your specific application and use that as a reference.

The following sections guide you through the data need for each of the features which
make up a plasma model.

• Electron Impact Reactions

• Reaction
• Surface Reaction
• Species

Electron Impact Reactions

For each electron impact reaction, the reaction formula is the first piece of
information that is required. Most published papers involving the numerical modeling
of plasmas include a table of the reactions which make up the plasma chemistry.

Once the formula is entered you need to supply some data to indicate the dependency
of the reaction rate on the electron energy. The most common way of accomplishing
this is to specify cross-section data for each of the electron impact reactions. The
cross-section data can be hard to find or not even exist. Cross-section data is available

28 | CHAPTER 2: DATA REQUIRED FOR PLASMA MODELING

for most of the common gases. Some useful resources for cross-section data are
available at the following links:

• http://fr.lxcat.net/home/
• http://jila.colorado.edu/~avp/collision_data/electronneutral/
ELECTRON.TXT

Cross-section data must be in a specific format in order to be imported

into COMSOL Multiphysics. See Importing Collision Cross-Section
Data.

If cross-section data is not available then the rate coefficient can be specified with a
constant value, an Arrhenius expression, or by a lookup table. In the case of an
Arrhenius expression, the Arrhenius coefficients must be specified. If you want to use
lookup tables for the rate coefficient then you need to load in a table of rate or
Townsend coefficient versus mean electron energy.

Depending on the type of electron impact collision, the following data is also required:

• The mass ratio of the electron to the target species for elastic collisions.
• The energy loss (in eV) for inelastic collisions.
• The ratio of statistical weights between the target and produced species if a detailed
balance is required.

DETAILED BALANCE
If a detailed balance is requested then cross-section data for the reverse reaction is
created. So, say you have an electronic excitation reaction like:

e+Ar=>e+Ars

and you also want to include the reverse reaction in the model:

e+Ars=>e+Ar

then the cross-section data for the forward reaction can be reused to compute the
cross-section data for the reverse reaction. In order to construct a detailed balance, the
ratio of the statistical weights between the target and product species is required. The
formula used to compute the cross-section data for the reverse reaction by first shifting
the electron energy data, ε, by the excitation energy, Δε, ε → ε + Δε , then scaling the
cross-section data, σ, by the ratio of statistical weights, g, σ → σ ⁄ g . This forms a new
look-up table of collision cross section versus energy for the reverse reaction. In
practice, the value used should not make much difference to the overall discharge

DATA REQUIREMENTS | 29
 characteristics. Data for some gases can be found in Ref. 2.

Reaction
For gas phase reactions, the forward rate constant using either Arrhenius coefficients
or numeric value data is required. If the reaction is reversible then enter the reverse rate
constant in the same way.

Surface Reaction
For surface reactions the following data is required:

• The forward sticking or rate coefficient, which can either be a numeric value or
specified in terms of Arrhenius parameters as a function of the surface temperature.
• For first-order reactions, the total surface site concentration is required.
• For surface reactions that result in emission of secondary electrons, the secondary
emission coefficient and mean energy of the secondary electrons is required.

Species
For each of the heavy species the following information is required:

• The molecular weight of the species

• The potential characteristic length of the species; required to compute the correct
diffusivity and mobility
• The potential energy minimum of the species; required to compute the correct
diffusivity and mobility

In cases where you are interested in solving for the neutral gas temperature, the
following additional information is required:

• The species molar enthalpy, entropy, and specific heat, which can be entered directly
as a function of temperature or by using NASA polynomials
• In the case of electronically excited species or ions, the properties of the ground state
species can be entered, and an additional contribution to the species enthalpy can
also be entered

30 | CHAPTER 2: DATA REQUIRED FOR PLASMA MODELING

The Plasma Module provides predefined transport and thermodynamic data for the
following species:
TABLE 2-1: TABLE OF GASES WITH PREDEFINED TRANSPORT AND THERMODYNAMIC DATA

GAS FORMULA

Helium He
Neon Ne
Argon Ar
Krypton Kr
Xenon Xe
Carbon C
Carbon hydride CH
Methylene CH2
Methyl radical CH3
Methane CH4
Carbon monoxide CO
Carbon dioxide CO2
Atomic fluorine F
Fluorine F2
Sulfur hexafluoride SF6
Silicon tetrafluoride SiF4
Atomic hydrogen H
Hydrogen H2
Water H2O
Hydrogen peroxide H2O2
Nitroxyl HNO
Hydroperoxyl HO2
Hydroxyl OH
Atomic nitrogen N
Nitrogen N2
Nitrous oxide N2O
Amino radical NH
Amino radical NH2
Ammonia NH3

DATA REQUIREMENTS | 31
 TABLE 2-1: TABLE OF GASES WITH PREDEFINED TRANSPORT AND THERMODYNAMIC DATA

GAS FORMULA

Nitric oxide NO
Nitrogen dioxide NO2
Atomic oxygen O
Oxygen O3
Ozone O3
Silane SiH4
Silane radical SiH2
Disilane Si2H6
The following surface species properties are also predefined:
TABLE 2-2: TABLE OF SURFACE SPECIES WITH PREDEFINED PHYSICAL AND THERMODYNAMIC DATA

NAME FORMULA

Silicon Si
Silicon hydride SiH
Silicon dioxide SiO2

Thermodynamic and transport properties for many other species can be found at the
following links:

• Thermodynamic properties: http://burcat.technion.ac.il/dir/THERM.DAT

• Transport properties: http://uigelz.eecs.umich.edu/pub/data/e_reactions.pdf
• Additional transport properties: http://combustion.berkeley.edu/gri-mech/
version30/files30/transport.dat

32 | CHAPTER 2: DATA REQUIRED FOR PLASMA MODELING

Importing Collision Cross-Section
Data
To facilitate the modeling process, all multiphysics interfaces and the Boltzmann
Equation, Two-Term Approximation interface can import sets of collision cross
sections from file. This section details the file format required and has these topics:

• Cross-Section Data File Format

• The File Format
• References for the Plasma Module Cross-Section Data Requirements

Cross-Section Data File Format

IMPORTING CROSS SECTIONS

The file format used to import cross-section data is almost the same as the format
proposed by Hagelaar in Ref. 1. The best way to get the cross-section data in the
correct format is to modify the file Ar_xsecs.txt which is available in the Plasma
Module Applications Libraries folder.

For each electron impact reaction, the lookup table of electron energy (eV) versus
collision cross section (m2) allows electron transport properties and source coefficients
to be computed. As an example, a set of collision cross sections for oxygen are shown

IMPORTING COLLISION CROSS-SECTION DATA | 33

 in Figure 2-1.

Figure 2-1: Plot of a set of collision cross sections for molecular oxygen. There are 16
collisions in total.

The File Format

Cross-section data must be specified using the following format:

1st line
2nd line
3rd line
4th line

---------------------------
energy data (eV) Collision cross section (m2)
---------------------------

1 1st line: Keyword in capitals indicating the type of the collision. Possible collision
types are ELASTIC, EXCITATION, IONIZATION, and ATTACHMENT. Note
the use of capital letters.
2 2nd line: Reaction formula. This formula carries over to the COMSOL Multiphysics
GUI so that whatever is entered here appears in the Formula field. The formula must
be separated by a => sign.
3 3rd line: For elastic collisions, the ratio of the electron mass to the target particle
mass. For attachment, the 3rd line is 0 (zero). For ionization, the threshold energy

34 | CHAPTER 2: DATA REQUIRED FOR PLASMA MODELING

 in eV. For excitation there are three (3) numbers separated by a space. The first
number is the excitation energy (eV). The second number is the ratio of statistical
weights of the final state to the initial state. The third number is a flag that
determines whether or not a detailed balance is used. Use a 1 to construct a detailed
balance and 0 otherwise.
4 4th line: Two unit conversion factors by which the columns of data are multiplied.
5 Table of the cross section as a function of energy. The table starts and ends by a line
of dashes '------' (at least five), and has otherwise two numbers per line: the
energy in eV and the cross section in m2. The table does not need to follow the
other lines immediately; that is, user comments such as reference information can
be included above the table.

Here are some examples for the types of collisions available:

ELASTIC
e+O2=>e+O2
1.71e-5
1.0 1.0
---------------------------
0.000000e+000 3.500000e-021
.
.
.
---------------------------

ATTACHMENT
e+O2=>O+O-
0
1.0 1.0
---------------------------
5.800000e-002 2.220446e-036
.
.
.
---------------------------

EXCITATION
e+O2=>e+O2b1s
1.6270 5 1
1.0 1.0
---------------------------
1.627000e+000 2.220446e-036
.
.
.
---------------------------

IMPORTING COLLISION CROSS-SECTION DATA | 35

 IONIZATION
e+O2=>2e+O2+
12.0600
1.0 1.0
---------------------------
1.206000e+001 2.220446e-036
.
.
.
---------------------------

References for the Plasma Module Cross-Section Data Requirements

1. G.J.M. Hagelaar and L.C. Pitchford, “Solving the Boltzmann equation to obtain
electron transport coefficients and rate coefficients for fluid models”, Plasma Sources
Science and Technology, vol. 14, pp. 722–733, 2005.

2. W.L. Wiese, M. W. Smith, and B.M. Glennon, “Atomic Transition Probabilities”,

http://nvlpubs.nist.gov/nistpubs/Legacy/NSRDS/nbsnsrds4.pdf 1966.

36 | CHAPTER 2: DATA REQUIRED FOR PLASMA MODELING

 3

AC/DC Interfaces

This chapter describes the physics interfaces found under the AC/DC branch ( ).

In this chapter:

• The Electrostatics Interface

• The Electric Currents Interface
• The Electrical Circuit Interface
• Theory for the Electrostatics Interface
• Theory for the Electric Currents Interface
• Theory for the Electrical Circuit Interface
• Connecting to Electrical Circuits
• Spice Import

37
 The Electrostatics Interface
The Electrostatics (es) interface ( ), found under the AC/DC branch ( ) when
adding a physics interface, is used to compute the electric field, electric displacement
field, and potential distributions in dielectrics under conditions where the electric
charge distribution is explicitly prescribed. The formulation is stationary except for use
together with other physics interfaces. Eigenfrequency, frequency-domain,
small-signal analysis, and time-domain modeling are supported in all space dimensions.

The physics interface solves Gauss’ Law for the electric field using the scalar electric
potential as the dependent variable.

Charge Conservation is the main node, which adds the equation for the electric
potential and has a Settings window for defining the constitutive relation for the
electric displacement field and its associated properties such as the relative permittivity.

When this physics interface is added, these default nodes are also added to the Model
Builder — Charge Conservation, Zero Charge (the default boundary condition), and
Initial Values. Then, from the Physics toolbar, add other nodes that implement, for
example, boundary conditions and space charges. You can also right-click Electrostatics
to select physics features from the context menu.

SETTINGS
The Label is the default physics interface name.

The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers, and
underscores (_) are permitted in the Name field. The first character must be a letter.

The default Name (for the first physics interface in the model) is es.

CROSS-SECTION AREA (1D COMPONENTS)

For 1D components, enter a default value for the Cross-section area A (SI unit: m2).
The default value of 1 is typically not representative for a thin domain. Instead it
describes a unit thickness that makes the 1D equation identical to the equation used
for 3D components. See also Change Cross Section.

38 | CHAPTER 3: AC/DC INTERFACES

THICKNESS (2D COMPONENTS)
For 2D components, enter a default value for the Out-of-plane thickness d (SI unit: m).
The default value of 1 is typically not representative for a thin dielectric medium, for
example. Instead it describes a unit thickness that makes the 2D equation identical to
the equation used for 3D components. See also Change Thickness (Out-of-Plane).

PHYSICS-CONTROLLED MESH
Select the Enable check box to allow the physics interface to control the meshing
process. Information from the physics, such as the presence of an infinite elements
domain or periodic condition, will be used to set up automatically an appropriate mesh
sequence.

M A N U A L TE R M I N A L S WE E P S E T T I N G S
Enter a Reference impedance Zref (SI unit: Ω). The default is 50 Ω.

Select the Activate manual terminal sweep check box to switch on the sweep and invoke
a parametric sweep over the terminals. Enter a Sweep parameter name to assign a
specific name to the variable that controls the terminal number solved for during the
sweep. The Sweep parameter name must also be declared as a model parameter. The
default is PortName.

The generated lumped parameters are in the form of capacitance matrix elements. The
terminal settings must consistently be of either fixed voltage or fixed charge type.

The lumped parameters are subject to Touchstone file export. Enter a file path or Browse
for a file. Select a Parameter format (value pairs) for the Touchstone export—Magnitude
and angle (MA) (the default), Magnitude in dB and angle (DB), or Real and imaginary
parts (RI). Select an option from the If file exists list — Overwrite or Create new. Create
new is useful when the model is solved multiple times with different settings. Select a
Parameter to export: Z (the default), Y, or S.

From the Home toolbar add a Parameters node and enter the chosen name and assign
to it a temporary Expression of unity into the Parameters table. You can also right-click
Global Definitions to add the node.

Only a temporary expression needs to be entered at this stage. During the

analysis process, the solver assigns a proper value to this parameter. The
generated lumped parameters are in the form of capacitance matrix
elements. The terminal settings must consistently be of either fixed
voltage or fixed charge type.

THE ELECTROSTATICS INTERFACE | 39

 For most applications it is simpler to sweep over terminals using the
Stationary Source Sweep study step. See Stationary Source Sweep in the
COMSOL Multiphysics Reference Manual and (for more details)
Stationary Source Sweep in the AC/DC Module User’s Guide.

DEPENDENT VARIABLES
The dependent variable is the Electric potential V. You can change its name, which
changes both the field name and the variable name. If the new name coincides with the
name of another electric potential field in the model, the physics interfaces shares
degrees of freedom. The new name must not coincide with the name of a field of
another type or with a component name belonging to some other field.

DISCRETIZATION
To display this section, click the Show button ( ) and select Discretization.

In the COMSOL Multiphysics Reference Manual, see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.

• Domain, Boundary, Edge, Point, and Pair Nodes for the Electrostatics
Interface
• Theory for the Electrostatics Interface

Electric Sensor: Application Library path COMSOL_Multiphysics/

Electromagnetics/electric_sensor

Domain, Boundary, Edge, Point, and Pair Nodes for the

Electrostatics Interface
The Electrostatics Interface has these domain, boundary, edge, point, and pair nodes
available.

ABOUT THE BOUNDARY CONDITIONS

The relevant physics interface condition at interfaces between different media is

40 | CHAPTER 3: AC/DC INTERFACES

 n2 ⋅ ( D1 – D2 ) = ρ s

In the absence of surface charges, this condition is fulfilled by the natural boundary
condition

n ⋅ [ ( ε 0 ∇V – P ) 1 – ( ε 0 ∇V – P ) 2 ] = – n ⋅ ( D 1 – D 2 ) = 0

AVAILABLE NODES
These nodes, listed in alphabetical order, are available from the Physics ribbon toolbar
(Windows users), Physics context menu (Mac or Linux users), or right-click to access
the context menu (all users). Also see Table 3-1 for a list of interior and exterior
boundary conditions, including edge, point, and pair availability.

In general, to add a node, go to the Physics toolbar no matter what

operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.

• Change Cross Section • Line Charge

• Change Thickness (Out-of-Plane) • Line Charge (on Axis)
• Charge Conservation • Line Charge (Out-of-Plane)
• Charge Conservation, Piezoelectric1 • Metal Contact
• Dielectric Contact • Periodic Condition
• Dielectric Shielding • Point Charge
• Distributed Capacitance • Point Charge (on Axis)
• Electric Displacement Field • Space Charge Density
• Electric Potential • Surface Charge Accumulation
• Electrostatic Point Dipole • Surface Charge Density
• External Surface Charge • Terminal
Accumulation • Thin Low Permittivity Gap
• Floating Potential • Zero Charge (the default boundary
• Ground condition)
• Initial Values
1 This feature is available with the Piezoelectric Devices interface, which requires

the Acoustics Module, MEMS Module, or the Structural Mechanics Module.

THE ELECTROSTATICS INTERFACE | 41

 Table 3-1 lists the interior and exterior boundaries available with this physics interface.
It also includes edge, point, and pair availability.
TABLE 3-1: INTERIOR AND EXTERIOR BOUNDARY CONDITIONS (INCLUDING EDGE, POINT, AND PAIR
AVAILABILITY) FOR THE ELECTROSTATICS INTERFACE

NODE INTERIOR EXTERIOR ALSO AVAILABLE FOR

Change Cross Section x x pairs

Change Thickness (Out-of-Plane) x x pairs
Dielectric Shielding x x pairs
Distributed Capacitance x x pairs
Electric Displacement Field x x pairs
Electric Potential x x edges, points, and pairs
External Surface Charge x pairs
Accumulation
Floating Potential x x pairs
Ground x x edges, points, and pairs
Periodic Condition x not applicable
Surface Charge Accumulation x not applicable
Surface Charge Density x x pairs
Terminal x x domains
Thin Low Permittivity Gap x not applicable
Zero Charge (the default) x x pairs

For axisymmetric components, COMSOL Multiphysics takes the axial

symmetry boundaries (at r = 0) into account and automatically adds an
Axial Symmetry node to the model that is valid on the axial symmetry
boundaries only. There are also Line Charge (on Axis) and Point Charge (on
Axis) available.

In the COMSOL Multiphysics Reference Manual, see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.

42 | CHAPTER 3: AC/DC INTERFACES

Charge Conservation
The Charge Conservation node adds the equations for charge conservation according to
Gauss’ law for the electric displacement field. It provides an interface for defining the
constitutive relation and its associated properties such as the relative permittivity.

M A T E R I A L TY P E
The Material type setting decides how materials behave and how material properties are
interpreted when the mesh is deformed. Select Solid for materials whose properties
change as functions of material strain, material orientation, and other variables
evaluated in a material reference configuration (material frame). Select Non-solid for
materials whose properties are defined only as functions of the current local state at
each point in the spatial frame, and for which no unique material reference
configuration can be defined. Select From material to pick up the corresponding setting
from the domain material on each domain.

ELECTRIC FIELD
Select a Constitutive relation to describe the macroscopic properties of the medium
(relating the electric displacement D with the electric field E) and the applicable
material properties, such as the relative permittivity. Select:

• Relative permittivity (the default) to use the constitutive relation D = ε0εrE. Then
the default is to take the Relative permittivity εr (dimensionless) values From material.
For User defined, select Isotropic, Diagonal, Symmetric, or Anisotropic and enter values
or expressions in the field or matrix. The default is 1.
• Polarization to use the constitutive relation D = ε0E + P. Then enter the components
based on space dimension for the Polarization vector P (SI unit: C/m2). The
defaults are 0 C/m2.
• Remanent electric displacement to use constitutive relation D = ε0εrE + Dr, where Dr
is the remanent displacement (the displacement when no electric field is present).
Then the default is to take the Relative permittivity εr (dimensionless) values From
material. For User defined, select Isotropic, Diagonal, Symmetric, or Anisotropic and
enter values or expressions in the field or matrix. Then enter the components based
on space dimension for the Remanent electric displacement Dr (SI unit: C/m2). The
defaults are 0 C/m2.

THE ELECTROSTATICS INTERFACE | 43

 Initial Values
The Initial Values node adds an initial value for the electric potential V that can serve
as an initial condition for a transient simulation or as an initial guess for a nonlinear
solver.

INITIAL VALUES
Enter a value or expression for the initial value of the Electric potential V (SI unit: V).
The default value is 0 V.

Space Charge Density

The Space Charge Density node adds a space charge density ρ, which appears on the
right-hand side of the equation that the physics interface defines.

SPACE CHARGE DENSITY

Enter a value or expression for the Space charge density ρv (SI unit: C/m3). The default
is 0 C/m3.

Zero Charge
The Zero Charge node adds the condition that there is zero charge on the boundary so
that n ⋅ D = 0. This boundary condition is also applicable at symmetry boundaries
where the potential is known to be symmetric with respect to the boundary. This is the
default boundary condition at exterior boundaries. At interior boundaries, it means
that no displacement field can penetrate the boundary and that the electric potential is
discontinuous across the boundary.

Ground
The Ground node implements ground (zero potential) as the boundary condition
V = 0.

Ground means that there is a zero potential on the boundary. This boundary condition
is also applicable at symmetry boundaries where the potential is known to be
antisymmetric with respect to the boundary.

For some physics interfaces, also select additional Ground nodes from the Edges (3D
components) or Points (2D and 3D components) submenus. For 2D axisymmetric
components, it can be applied on the Symmetry axis.

44 | CHAPTER 3: AC/DC INTERFACES

B O U N D A R Y, E D G E , O R P O I N T S E L E C T I O N

Beware that constraining the potential on edges or points in 3D or on

points in 2D usually yields a current outflow that is mesh dependent.

CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

Electric Potential
The Electric Potential node provides an electric potential V0 as the boundary condition
V = V0.

Because the electric potential is being solved for in the physics interface, the value of
the potential is typically defined at some part of the geometry. For some physics
interfaces, also select additional Electric Potential nodes from the Edges (3D
components) or Points (2D and 3D components) submenus. For 2D axisymmetric
components, it can be applied on the symmetry axis.

B O U N D A R Y, E D G E , O R P O I N T S E L E C T I O N

Beware that constraining the potential on edges or points in 3D or on

points in 2D usually yields a current outflow that is mesh dependent.

EL ECT RIC PO TENT IA L

Enter the value or expression for the Electric potential V0 (SI unit: V). The default is
0 V.

CIRCUIT SETTINGS

Capacitively Coupled Plasmas

Select the Circuit type—None (the default), Series RC circuit, Ballast resistor, or Blocking
capacitor. If None is selected, no external circuit is added.

THE ELECTROSTATICS INTERFACE | 45

 Series RC Circuit
If Series RC circuit is selected, enter a value or expression for the Ballast resistor Rb
(SI unit: Ω) and Blocking capacitance Cb (SI unit: F). The defaults are 1000 Ω and 1 pF,
respectively. This option is typically used for metallic electrodes in DC discharges. The
presence of the external circuit prevents the discharge from arcing. If arcing begins to
occur the solver tends to fail and the ballast resistor value should be increased. The
presence of the blocking capacitor also helps when solving by ramping up the applied
potential from zero over a finite period of time.

Ballast Resistor
If Ballast resistor is selected, enter a value or expression for the Ballast resistor Rb
(SI unit: Ω). The default is 1000 Ω. The presence of the ballast resistor reduces the
likelihood that the discharge arcs. However, it is recommended that the Series RC
circuit be chosen in preference to this one.

Blocking Capacitor
If Blocking capacitor is selected, enter a value or expression for the Blocking capacitance
Cb (SI unit: F). The default is 1 pF. For 1D components, enter a value for the Electrode
surface area As (SI unit: m2). The default is 0.01 m2. This value is used to compute the
total amount of electrical current flowing into the electrode due to the time varying
displacement field and flow of charged particles. This option is typically used when
modeling capacitively coupled plasmas, since these typically operate with a blocking
capacitor between the power supply and the electrodes.

CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

Surface Charge Density

The Surface Charge Density node provides the following surface-charge boundary
condition for exterior boundaries (left) and interior boundaries (right):

–n ⋅ D = ρs , n ⋅ ( D1 – D2 ) = ρs

Specify the surface charge density ρs at an outer boundary or at an interior boundary

between two nonconducting media.

Add a contribution as a Harmonic Perturbation by right-clicking the parent node or

click Harmonic Perturbation on the Physics toolbar. For more information, see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

46 | CHAPTER 3: AC/DC INTERFACES

SURFACE CHARGE DENSITY
Enter the value or expression for the Surface charge density ρs (SI unit: C/m2).

External Surface Charge Accumulation

The External Surface Charge Accumulation node implements the boundary condition

–n ⋅ D = ρs

where ρs is the solution of the following distributed ODE on the boundary:

dρ s
= n ⋅ Ji + n ⋅ Je
dt

where n · Ji is the normal component of the total ion current density on the wall and
n · Je is the normal component of the total electron current density on the wall, which
are feature inputs.

M A T E R I A L TY P E
The Material type setting decides how materials behave and how material properties are
interpreted when the mesh is deformed. Select Solid for materials whose properties
change as functions of material strain, material orientation, and other variables
evaluated in a material reference configuration (material frame). Select Non-solid for
materials whose properties are defined only as functions of the current local state at
each point in the spatial frame, and for which no unique material reference
configuration can be defined. Select From material to pick up the corresponding setting
from the domain material on each domain.

EXTERNAL SURFACE CHARGE ACCUMULATION

Enter values or expressions for the Normal ion current density n · Ji (SI unit: A/m2)
and the Normal electron current density n · Je (SI unit: A/m2).

Electric Displacement Field

The Electric Displacement Field node adds the following electric-displacement
boundary condition:

n ⋅ D = n ⋅ D0

It specifies the normal component of the electric displacement field at a boundary.

THE ELECTROSTATICS INTERFACE | 47

 ELECTRIC DISPLACEMENT FIELD
Enter the coordinates of the Boundary electric displacement field D0 (SI unit: C/m2).

Periodic Condition
The Periodic Condition node defines periodicity or antiperiodicity between two
boundaries. If required, activate periodic conditions on more than two boundaries, in
which case the Periodic Condition tries to identify two separate surfaces that can each
consist of several connected boundaries. For more complex geometries, it might be
necessary to use the Destination Selection subnode. With this subnode the boundaries
which constitute the source and destination surfaces can be manually specified. The
Destination Selection subnode is available from the context menu (right-click the parent
node) as well as from the Physics toolbar, Attributes menu.

When this feature is used in conjunction with a Sector Symmetry feature

on connected boundaries, wherever the sector symmetry boundaries
connect with the periodic boundaries, the same periodic condition feature
cannot be used on both sides. At least two periodic condition features are
required for the model to compute correctly.

BOUNDARY SELECTION
When using nonconforming meshes on the source and destination of a periodic
boundary pair, for numerical stability, a finer mesh should be applied on the
destination side. Use conforming meshes if possible.

PERIODIC CONDITION
Select a Type of periodicity — Continuity (the default) or Antiperiodicity.

CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

For information about the Orientation of Source section, see Orientation of Source
and Destination in the COMSOL Multiphysics Reference Manual.

Thin Low Permittivity Gap

Use the Thin Low Permittivity Gap node

48 | CHAPTER 3: AC/DC INTERFACES

 ε0 εr
n ⋅ D 1 = ---------- ( V 1 – V 2 )
ds
ε0 εr
n ⋅ D 2 = ---------- ( V 2 – V 1 )
ds

to model a thin gap of a material with a small permittivity compared to the adjacent
domains. The layer has the thickness ds and the relative permittivity εr. The indices 1
and 2 refer to the two sides of the boundary.

THIN LOW PERMITTIVITY GAP

The default is to take the Relative permittivity εr (dimensionless) values From material.
For User defined, enter a different value or expression. Enter a Surface thickness ds (SI
unit: m). The default is 5 mm.

Surface Charge Accumulation

On interior boundaries, the Surface Charge Accumulation node implements the
boundary condition

n ⋅ ( D1 – D 2 ) = ρs

where ρs is the solution of the following distributed ODE on the boundary:

dρ s
= n ⋅ Ji + n ⋅ Je
dt

where n · Ji is the normal component of the total ion current density on the wall and
n · Je is the normal component of the total electron current density on the wall.

SURFACE CHARGE ACCUMULATION

Enter the values or expressions for the Normal ion current density n · Ji (SI unit: A/m2)
and the Normal electron current density n · Je (SI unit: A/m2).

Dielectric Barrier Discharge: Application Library path Plasma_Module/

Direct_Current_Discharges/argon_dbd_1d

THE ELECTROSTATICS INTERFACE | 49

 Dielectric Shielding
The Dielectric Shielding node adds dielectric shielding as a boundary condition. It
describes a thin layer with thickness ds and a bulk relative permittivity; εr that shields
the electric field:

n ⋅ D = – ∇ t ⋅ ε 0 ε rs d s ∇tV

Use this boundary condition when approximating a thin domain with a boundary to
reduce the number of mesh elements.

M A T E R I A L TY P E
The Material type setting decides how materials behave and how material properties are
interpreted when the mesh is deformed. Select Solid for materials whose properties
change as functions of material strain, material orientation and other variables
evaluated in a material reference configuration (material frame). Select Non-solid for
materials whose properties are defined only as functions of the current local state at
each point in the spatial frame, and for which no unique material reference
configuration can be defined. Select From material to pick up the corresponding setting
from the domain material on each domain.

ELECTRIC SHIELDING
The default is to take the Relative permittivity εr (dimensionless) values From material.
It takes it from the adjacent domains if not explicitly defined. For User defined select
Isotropic, Diagonal, Symmetric, or Anisotropic and enter values or expressions in the field
or matrix. Enter a Surface thickness ds (SI unit: m) of the shielding. The default is 1 m.

Terminal
The Terminal node provides a boundary or domain condition for connection to
external circuits, to transmission lines, or with a specified voltage or charge. By
specifying zero charge, a floating potential condition is obtained. When the Terminal
node is applied on the domain level, the electric potential is set to constant on the
entire domain selection.

The Terminal node also enables the computation of the lumped parameters of the
system, such as capacitance.

50 | CHAPTER 3: AC/DC INTERFACES

TE R M I N A L
Specify the terminal properties. Enter a unique Terminal name that will be used to
identify the global variables (such as the terminal voltage or current) that are defined
by the terminal. The Terminal name can contain alphanumeric characters, but it should
be numeric when performing terminal sweeps.

Select a Terminal type — Charge (the default), Voltage, Circuit, or Terminated. Select:

• Charge to prescribe the total charge deposited on the terminal boundaries. Enter the
total charge Q0. The default is 0 C, which corresponds to a uncharged floating
electrode.
• Voltage to specify a fixed electric potential at the terminal. Enter an electric potential
V0. The default is 1 V.
• Circuit to specify a terminal connected to an Electrical Circuit physics interface that
models an external circuit. The Terminal node provides a current-voltage
characteristic to the circuit.

The Electrical Circuit Interface requires a current from the Terminal, so

the Circuit terminal type can only be used in Time Dependent or
Frequency Domain studies, in which the current can be computed as the
time derivative of the charge.

The Circuit type cannot be used together with a terminal sweep.

• Terminated to connect the terminal to an impedance that might represent a load or

a transmission line. When Terminated is selected, the scattering parameters
(S-parameters) are computed. The Terminated setting can only be used in
frequency-domain studies.
- Enter a Terminal power P0 to specify the input power at this terminal from the
transmission line. This excitation can be toggled using a port sweep.
- Select an option from the Characteristic impedance from list to define the value of
the impedance — Physics interface or User defined. For Physics interface the
Reference impedance Zref defined on the Settings window for the physics under
Sweep Settings is used. For User defined enter a specific impedance Zref for this
terminal. The default is 50 Ω.

THE ELECTROSTATICS INTERFACE | 51

 Initial values
The initial values subsection is used to provide initial values for the internal state
variables in the Terminal. These settings can be useful to provide an initial guess to the
nonlinear solver or the initial value in a time-dependent study.

The Initial value for voltage is available for all Terminal types except Voltage. Enter an
Initial value for voltage Vinit.

The Initial value for charge is available for the Circuit excitation. It specifies the initial
charge on the terminal when the circuit is connected. Enter an Initial value for charge
Qinit.

CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

Studies and Solvers in the COMSOL Multiphysics Reference Manual

Floating Potential
The Floating Potential node is used when modeling a metallic electrode at floating
potential. It applies a constant voltage V0 on the boundary (for domain features, this
is the boundary enclosing the selected domain), such that the total normal electric
displacement field D equals a specific charge Q0:

V = V0

 ( D ⋅ n ) dS = Q0 ,
∂Ω

where Ω represents the boundary and n refers to the surface normal. The constant
boundary voltage implies the tangential electric field equals zero; the electric field will
be perpendicular to the boundary:

–∇t V = Et = 0
n × E = 0.

In case of Q0 = 0 (the default case), the boundary will behave as an unconnected,

neutrally charged, good conductor under electrostatic conditions (a floating
equipotential). Although locally the displacement field may vary, the total electric
displacement field entering or leaving the boundary equals zero.

52 | CHAPTER 3: AC/DC INTERFACES

If the floating potential touches a point, boundary or domain feature that is not
floating (a Terminal or Ground feature), the floating potential will acquire that feature's
potential. If the floating potential is set to a certain charge, or connected to a circuit,
it behaves like a terminal.

FLOATING PO TENT IA L
The Floating potential identifier text area shows the unique identifier for the floating
potential feature. It is used to identify the global variables created by the node, such as
the voltage. The Floating potential group check box on the Settings window for Floating
Potential controls how potentials are assigned to boundary segments in the feature’s
boundary selection. If this check box is not selected, a single potential is applied to all
boundaries in the selection. If the check box is selected, each group of contiguous
boundaries in the selection is given a unique potential. This simplifies the setup of
models with many floating electrodes. The values of the potential at each group of
boundaries are then made available in postprocessing, collected in a vector variable.

The following options are not available if the Floating potential group check box is
selected. Select a specification for the Electric charge — choose User defined to specify
a total Charge Q0 deposited on the surface. Select Circuit to connect the floating
potential to an Electrical Circuit.

The Electrical Circuit Interface requires a current from the Floating

Potential, so the Circuit terminal type can only be used in Time
Dependent or Frequency Domain studies, in which the current can be
computed as the time derivative of the charge.

Initial Values
The initial values subsection is used to provide initial values for the internal state
variables in the Floating potential. These settings can be useful to provide an initial
guess to the nonlinear solver or the initial value in a time-dependent study.

Enter an Initial value for voltage Vinit.

The Initial value for charge is available for the Circuit excitation. It specifies the initial
charge on the floating potential when the circuit is connected. Enter an Initial value for
charge Qinit.

THE ELECTROSTATICS INTERFACE | 53

 CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

Settings and Properties Windows for Feature Nodes in the COMSOL

Multiphysics Reference Manual

Distributed Capacitance
The Distributed Capacitance node adds a distributed capacitance boundary condition
according to the following equations for exterior boundaries (left) and interior
boundaries (right):

V ref – V V ref – V
– n ⋅ D = ε 0 ε r -------------------- n ⋅ ( D 1 – D 2 ) = ε 0 ε r --------------------
ds ds

Use this boundary condition to model a thin sheet or film of a dielectric material. The
sheet has the relative permittivity εr and the surface thickness ds, and it is connected
to the reference potential Vref.

DISTRIBUTED CAPACITANCE
Enter the values or expressions for Relative permittivity εr (dimensionless), Surface
thickness ds (SI unit: m), and Reference potential Vref . The default value for the surface
thickness is 10−3 m (1 mm) and 0 V for the reference potential.

Line Charge
For 3D components, use the Line Charge node to specify line charges along the edges
of a geometry. Add a contribution as a Harmonic Perturbation by right-clicking the
parent node or clicking Harmonic Perturbation on the Physics toolbar. For more
information see Harmonic Perturbation — Exclusive and Contributing Nodes in the
COMSOL Multiphysics Reference Manual.

EDGE SELECTION

Beware that constraining the potential on edges usually yields a current

outflow that is mesh dependent.

54 | CHAPTER 3: AC/DC INTERFACES

LINE CHARGE
Enter a value or expression to apply a Line charge QL (SI unit: C/m). This source
represents electric charge per unit length and the default is 0 C/m.

Line Charge (on Axis) and Line Charge (Out-of-Plane)

Line Charge (on Axis)

For 2D axisymmetric components, use the Line Charge (on Axis) node to specify line
charges along the symmetry axis.

Add a contribution as a Harmonic Perturbation by right-clicking the parent node or

click Harmonic Perturbation on the Physics toolbar. For more information see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

LINE CHARGE (ON AXIS)

Enter a value or expression to apply a Line charge QL (SI unit: C/m). This source
represents electric charge per unit length and the default is 0 C/m.

Line Charge and Line Charge (Out-of-Plane)

Line Charge (Out-of-Plane)

For 2D and 2D axisymmetric components, points are selected and this is the same as
a line out-of-plane.

Add a contribution as a Harmonic Perturbation by right-clicking the parent node or

clicking Harmonic Perturbation on the Physics toolbar. For more information see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

Use the Line Charge (Out-of-Plane) node to specify line charges along the points of a
geometry for 2D and 2D axisymmetric components.

THE ELECTROSTATICS INTERFACE | 55

 POINT SELECTION

Beware that constraining the potential on points usually yields a current

outflow that is mesh dependent.

LINE CHARGE (OUT-OF-PLANE)

Enter a value or expression to apply a Line charge QL (SI unit: C/m). This source
represents electric charge per unit length and the default is 0 C/m.

Line Charge and Line Charge (on Axis)

Point Charge
The Point Charge node adds a point source to 3D components. The point charge
represents an electric displacement field flowing out of the point.

Add a contribution as a Harmonic Perturbation by right-clicking the parent node or

clicking Harmonic Perturbation on the Physics toolbar. For more information see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

POINT SELECTION

Beware that constraining the potential on points usually yields a current

outflow that is mesh dependent.

POINT CHARGE
Enter a value or expression to apply a Point charge QP (SI unit: C) to points. This
source represents an electric displacement field flowing out of the point. The default is
0 C.

Point Charge (on Axis) and Line Charge (Out-of-Plane)

56 | CHAPTER 3: AC/DC INTERFACES

Point Charge (on Axis)
The Point Charge (on Axis) node adds a point source to 2D axisymmetric components.
The point charge represents an electric displacement field flowing out of the point.

Add a contribution as a Harmonic Perturbation by right-clicking the parent node or

clicking Harmonic Perturbation on the Physics toolbar. For more information see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

PO IN T S EL EC TIO N

Beware that constraining the potential on points usually yields a current

outflow that is mesh dependent.

PO INT CHARGE (ON AXIS)

Enter a value or expression to apply a Point charge QP (SI unit: C) to points on an axis.
This source represents an electric displacement field flowing out of the point. The
default is 0 C.

Point Charge and Line Charge (Out-of-Plane)

Change Cross Section

This node is available with 1D components. This setting overrides the global
Cross-Section Area setting made in any physics interface that uses this feature. For 2D
components, see Change Thickness (Out-of-Plane).

Use the Change Cross-Section node to set the cross-section area for specific geometric
entities.

CHANGE CROSS SECTION

Enter a value or expression for the Cross-section area A. The default value of 1 unit
length is typically not representative for a thin domain. Instead it describes a unit
thickness that makes the 1D equation identical to the equation used for 3D
components.

THE ELECTROSTATICS INTERFACE | 57

 Change Thickness (Out-of-Plane)
This node is available for 2D components. This setting overrides the global Thickness
setting made in any physics interface that uses this node. For 1D components, see
Change Cross Section.

Use the Change Thickness (Out-of-Plane) node to set the out-of-plane thickness for
specific geometric entities.

CHANGE THICKNESS (OUT-OF-PLANE)

Enter a value or expression for the Out-of-plane thickness d (SI unit: m). The default
value is, in most cases, 1 unit length, which is typically not representative for a thin
domain. Instead it describes a unit thickness that makes the 2D equation identical to
the equation used for 3D components.

Charge Conservation, Piezoelectric

This feature is available with the Piezoelectric Devices interface, which

requires the Acoustics Module, MEMS Module, or the Structural
Mechanics Module. See the individual documentation for information.

The Charge Conservation, Piezoelectric is normally used together with a Piezoelectric

Effect multiphysics coupling node and a corresponding Piezoelectric Material node in
the Solid Mechanics interface. The node is added by default to the Electrostatics
interface when adding a Piezoelectric Devices interface. It is also available from the
context menu (right-click the Electrostatics interface parent node) or from the Physics
toolbar.

When the Charge Conservation, Piezoelectric node is added to the

electrostatics interface in the absence of an active Piezoelectric Effect
multiphysics coupling node, the material behaves similarly to a Charge
Conservation node, with electric properties corresponding to the relative
permittivity entered (see below). The piezoelectric effect is not included
in the corresponding equation system.

ELECTRIC DISPLACEMENT
If the node is used together with an active Piezoelectric Effect multiphysics coupling
node, then these settings are locked. Note that if they are unlocked, then the material

58 | CHAPTER 3: AC/DC INTERFACES

behaves like a dielectric and not a piezoelectric. In this case, the default is to take the
Relative permittivity εrS (dimensionless) values From material. For User defined, select
Isotropic, Diagonal, Symmetric, or Anisotropic and enter values or expressions in the field
or matrix.

Metal Contact
The Metal Contact node is used for modeling what happens when a plasma is in contact
with a metal surface. The Metal Contact can only be applied on boundaries adjacent to
the Plasma Model feature. This feature is available when using The Plasma Interface,
The Inductively Coupled Plasma Interface, and The Microwave Plasma Interface.

TE R M I N A L
Specify the terminal properties. To indicate which boundaries belong to the same
terminal, enter the same name in the Terminal name field.

Select a Terminal type—Voltage (the default), Current or Circuit. Select:

• Voltage to enter an electric potential V0.

• Current to enter the Terminal current I0. This ensures that the total current arriving
on the boundary is equal to the specified value. The current arriving on the
boundary is the sum of the displacement current due to the time varying electric
potential and conduction current due to the fact that ions an electrons may be
incident on the surface.
• Circuit to specify a terminal connected to an external circuit. The Terminal node
provides a current-voltage characteristic to the circuit element.

If the finite element discretization is employed, then the Use weak constraints check
box should be activated in the Constraint Settings section when using the Current or
Circuit options (see below).

QUICK CIRCUIT SETTINGS

This section is available when Voltage is selected as the Terminal type. Select a Quick
circuit type — None (the default), Series RC circuit, Ballast resistor, or Blocking capacitor.
These settings are the same as described under Circuit Settings for Electric Potential.

CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

THE ELECTROSTATICS INTERFACE | 59

 Dielectric Contact
Use the Dielectric Contact node is used for modeling what happens when a plasma is in
contact with a dielectric (insulating) surface. The Dielectric Contact can only be applied
on boundaries adjacent to the Plasma Model feature.

S U R F A C E C H A R G E TY P E
Select a Surface charge type — Surface charge accumulation (the default) or Surface
charge density. For Surface charge density enter the value or expression for σs.

DISTRIBUTED CAPACITANCE
Click to select the Enable distributed capacitance check box. Then enter the values or
expressions for Relative permittivity εr (dimensionless), Surface thickness ds
(SI unit: m), and Reference potential Vref. The default value for the surface thickness is
10−3 m (1 mm) and 0 V for the reference potential.

Electrostatic Point Dipole

Add an Electrostatic Point Dipole node to 3D and 2D components. Add a contribution
as a Harmonic Perturbation by right-clicking the parent node or click Harmonic
Perturbation on the Physics toolbar. For more information see Harmonic Perturbation
— Exclusive and Contributing Nodes in the COMSOL Multiphysics Reference
Manual.

The Electrostatic Point Dipole represents the limiting case of zero separation distance
between two equally strong point sources of opposing signs while maintaining the
product between separation distance and source strength at a fixed value (p). The
dipole moment is a vector entity with positive direction from the negative charge to
the positive one.

ELECTROSTATIC POINT DIPOLE

Select a Dipole specification — Magnitude and direction (the default) or Electric dipole
moment.

• For Magnitude and direction enter coordinates for the Electric dipole moment
direction np (dimensionless) and the Electric dipole moment, magnitude p.
• For Electric dipole moment enter coordinates for the Electric dipole moment p.

60 | CHAPTER 3: AC/DC INTERFACES

The Electric Currents Interface
The Electric Currents (ec) interface ( ), found under the AC/DC branch ( ) when
adding a physics interface, is used to compute electric field, current, and potential
distributions in conducting media under conditions where inductive effects are
negligible; that is, when the skin depth is much larger than the studied device.

Depending on the licensed products, stationary, frequency-domain, small-signal

analysis, and time-domain modeling are supported in all space dimensions. In the time
and frequency domains, capacitive effects are also accounted for.

The physics interface solves a current conservation equation based on Ohm’s law using
the scalar electric potential as the dependent variable.

Current Conservation is the main node, which adds the equation for the electric
potential and provides a Settings window for defining the electrical conductivity as well
as the constitutive relation for the electric displacement field and its associated material
properties, such as the relative permittivity.

When this physics interface is added, these default nodes are also added to the Model
Builder — Current Conservation, Electric Insulation (the default boundary condition),
and Initial Values. Then, from the Physics toolbar, add other nodes that implement, for
example, boundary conditions and current sources. You can also right-click Electric
Currents to select physics features from the context menu.

SETTINGS
The Label is the default physics interface name.

The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers, and
underscores (_) are permitted in the Name field. The first character must be a letter.

The default Name (for the first physics interface in the model) is ec.

PHYSICS-CONTROLLED MESH
Select the Enable check box to allow the physics interface to control the meshing
process. Information from the physics, such as the presence of an infinite elements

THE ELECTRIC CURRENTS INTERFACE | 61

 domain or periodic condition, will be used to automatically set up an appropriate mesh
sequence.

CROSS-SECTION AREA (1D)

Enter a default value for the Cross-section area A (SI unit: m2). The default value of 1
is typically not representative for a thin domain. Instead it describes a unit thickness
that makes the 1D equation identical to the equation used for 3D components. See
also Change Cross Section (described for the Electrostatics interface).

THICKNESS (2D)
Enter a default value for the Out-of-plane thickness d (SI unit: m) (see Equation 3-1).
The default value of 1 m is typically not representative for a thin dielectric medium, for
example. Instead it describes a unit thickness that makes the 2D equation identical to
the equation used for 3D components. See also Change Thickness (Out-of-Plane)
(described for the Electrostatics interface).

M A N U A L TE R M I N A L S W E E P S E T T I N G S
Enter a Reference impedance Zref (SI unit: Ω). The default is 50 Ω.

Select the Activate manual terminal sweep check box to switch on the sweep and invoke
a parametric sweep over the terminals. Enter a Sweep parameter name to assign a
specific name to the variable that controls the terminal number solved for during the
sweep. The default is PortName. The generated lumped parameters are in the form of
capacitance matrix elements. The terminal settings must consistently be of either fixed
voltage or fixed charge type.

The lumped parameters are subject to Touchstone file export. Enter a file path or Browse
for a file. Select a Parameter format (value pairs) for the Touchstone export —
Magnitude and angle (MA) (the default), Magnitude in dB and angle (DB), or Real and
imaginary parts (RI). Select an option from the If file exists list — Overwrite or Create
new. Create new is useful when the model is solved multiple times with different
settings. Select a Parameter to export — Z (the default), Y, or S.

For most applications it is simpler to sweep over terminals using the

Stationary Source Sweep study step. See Stationary Source Sweep in the
COMSOL Multiphysics Reference Manual and (for more details)
Stationary Source Sweep in the AC/DC Module User’s Guide.

62 | CHAPTER 3: AC/DC INTERFACES

DEPENDENT VA RIA BLES
The dependent variable is the Electric potential V. You can change its name, which
changes both the field name and the variable name. If the new name coincides with the
name of another electric potential field in the model, the physics interfaces share
degrees of freedom. The new name must not coincide with the name of a field of
another type or with a component name belonging to some other field.

DISCRETIZATION
To display this section, click the Show button ( ) and select Discretization.

• Domain, Boundary, Edge, Point, and Pair Nodes for the Electric
Currents Interface
• Theory for the Electric Currents Interface

Pacemaker Electrode: Application Library path COMSOL_Multiphysics/

Electromagnetics/pacemaker_electrode

Domain, Boundary, Edge, Point, and Pair Nodes for the Electric
Currents Interface
The Electric Currents Interface has these domain, boundary, edge, point, and pair
nodes available from the Physics ribbon toolbar (Windows users) or Physics context
menu (Mac or Linux users). You can also right-click to access the context menu (all
users).

In general, to add a node, go to the Physics toolbar, no matter what

operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.

ABOUT THE BOUNDARY CONDITIONS

The exterior and interior boundary conditions listed in Table 3-1 are available. The
relevant physics interface condition at interfaces between different media and interior
boundaries is continuity; that is,

n2 ⋅ ( J1 – J2 ) = 0

which is the natural boundary condition.

THE ELECTRIC CURRENTS INTERFACE | 63

 AVAILABLE NODES
These nodes are available for this physics interface, listed in alphabetical order. Also see
Table 3-1 for a list of interior and exterior boundary conditions, including edge, point,
and pair availability.

• Boundary Current Source • Floating Potential

• Contact Impedance • Initial Values
• Current Conservation • Line Current Source
• Current Source • Line Current Source (on Axis)
• Distributed Impedance • Normal Current Density
• Electric Insulation • Piezoresistive Material1
• External Current Density • Point Current Source
• Sector Symmetry
• Terminal

1
This feature is available with the Piezoresistivity, Domain Currents interface, which
requires the MEMS Module.

These nodes are described for the Electrostatics interface:

• Change Cross Section • Ground

• Change Thickness (Out-of-Plane) • Periodic Condition
• Electric Potential

In the COMSOL Multiphysics Reference Manual, see Table 2-3 for links
to common sections and Table 2-4 for common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.

64 | CHAPTER 3: AC/DC INTERFACES

 For axisymmetric components, COMSOL Multiphysics takes the axial
symmetry boundaries (at r = 0) into account and automatically adds an
Axial Symmetry node to the model that is valid on the axial symmetry
boundaries only.

Table 3-1 lists the interior and exterior boundaries available with this physics interface.
It also includes edge, point, and pair availability.
TABLE 3-2: INTERIOR AND EXTERIOR BOUNDARY CONDITIONS (INCLUDING EDGE, POINT, AND PAIR
AVAILABILITY) FOR THE ELECTRIC CURRENTS INTERFACE

NODE INTERIOR EXTERIOR ALSO AVAILABLE FOR

Boundary Current Source x pairs

Contact Impedance x pairs
Distributed Impedance x x not applicable
Electric Insulation x x pairs
Electric Potential x x edges, points, and pairs
Floating Potential x x pairs
Ground x x edges, points, and pairs
Normal Current Density x not applicable
Periodic Condition x not applicable
Terminal x x pairs, domains

Current Conservation
The Current Conservation node adds the continuity equation for the electrical potential
and provides an interface for defining the electric conductivity as well as the
constitutive relation and the relative permittivity for the displacement current.

M A T E R I A L TY P E
The Material type setting decides how materials behave and how material properties are
interpreted when the mesh is deformed. Select Solid for materials whose properties
change as functions of material strain, material orientation, and other variables
evaluated in a material reference configuration (material frame). Select Non-solid for
materials whose properties are defined only as functions of the current local state at
each point in the spatial frame, and for which no unique material reference
configuration can be defined. Select From material to pick up the corresponding setting
from the domain material on each domain.

THE ELECTRIC CURRENTS INTERFACE | 65

 CONDUCTION CURRENT
By default, the Electrical conductivity σ (SI unit: S/m) for the media is defined From
material. Or select User defined or Linearized resistivity.

User Defined
For User defined select Isotropic, Diagonal, Symmetric, or Anisotropic depending on the
characteristics of the electrical conductivity, and then enter values or expressions for the
electrical conductivity σ in the field or matrix. The default is 0 S/m. If type of
temperature dependence is used other than a linear temperature relation, enter any
expression for the conductivity as a function of temperature.

Linearized Resistivity
Select Linearized resistivity for a temperature-dependent conductivity (this occurs in,
for example, Joule heating, and is also called resistive heating). The equation
describing the conductivity:

1
σ = -----------------------------------------------
ρ0 ( 1 + α ( T – T0 ) )

where ρ0 is the resistivity at the reference temperature T0, and α is the temperature
coefficient of resistance, which describes how the resistivity varies with temperature.

The default Reference resistivity ρ0 (SI unit: Ω⋅m), Reference temperature Tref
(SI unit: K), and Resistivity temperature coefficient α (SI unit: 1/K) are taken From
material, which means that the values are taken from the domain (or boundary)
material. T is the current temperature, which can be a value that is specified as a model
input or the temperature from a heat transfer interface. The definition of the
temperature field is in the Model Inputs section.

To specify other values for any of these properties, select User defined from the list and
then enter a value or expression for each. The default values are:

• 1 Ω⋅m for the Reference resistivity

• 273.15 K for the Reference temperature, and
• 0 1/K for the Resistivity temperature coefficient

ELECTRIC FIELD
Select a Constitutive relation to describe the macroscopic properties of the medium
(relating the electric displacement D with the electric field E) and the applicable
material properties, such as the relative permittivity. For a description of the
constitutive relations Relative permittivity, Polarization, and Remanent electric

66 | CHAPTER 3: AC/DC INTERFACES

displacement, see Electric Field as described for the Charge Conservation node for the
Electrostatics interface. The constitutive relations specific to Electric Currents are:

• Dielectric losses: uses the constitutive relation D = ε0(ε'+ε")E. Specify that the
Relative permittivity (real part) ε' (dimensionless) and the Relative permittivity
(imaginary part) ε" (dimensionless) must be taken From material or be User defined.
For User defined, select Isotropic, Diagonal, Symmetric, or Anisotropic and enter values
or expressions in the field or matrix. The default is 1.
• Loss tangent, loss angle: uses the constitutive relation D = ε0ε'(1+jtanδ)E. Specify the
Relative permittivity (real part) ε' (dimensionless) and Loss angle δ (SI unit: rad).
• Loss tangent, dissipation factor: uses the constitutive relation D = ε0ε'(1+jtanδ)E.
Specify the Relative permittivity (real part) ε' (dimensionless) and the Dissipation
factor tanδ (dimensionless).

Initial Values
The Initial Values node adds an initial value for the electric potential that can serve as
an initial condition for a transient simulation or as an initial guess for a nonlinear solver.
If more than one set of initial values is required, from the Physics toolbar, add other
nodes that implement, for example, boundary conditions and current sources. Add
more Initial Values nodes from the Physics toolbar.

IN IT IA L VA LUES
Enter a value or expression for the initial value of the Electric potential V (SI unit: V).
The default value is 0 V.

External Current Density

The External Current Density node adds an externally generated current density Je,
which appears in Ohm’s law

J = σE + J e

and in the equation that the physics interface defines.

The external current density does not contribute to the losses (due to Joule heating),
since there is no electric field associated with it. To include the contribution to the
losses from the external current density, select the Add contribution of the external
current density to the losses check box. Then select an option from the External losses
list—From domain conductivity (the default) or User defined. If From domain

THE ELECTRIC CURRENTS INTERFACE | 67

 conductivity is selected, the heat source is computed using the conductivity specified in
the material model feature (such as Current Conservation) that is applied in the domain.
For User defined, enter a value for Qe (SI unit: W/m3) to specify a user-defined heat
source.

Add a contribution as a Harmonic Perturbation by right-clicking the parent node or

clicking Harmonic Perturbation on the Physics toolbar. For more information see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

EXTERNAL CURRENT DENSITY

Based on space dimension, enter the coordinates (x, y, and z for 3D components, for
example) of the External current density Je (SI unit: A/m2). The defaults are 0 A/m2.

Current Source
The Current Source node adds a distributed current source Qj in the equation that the
physics interface defines. Use this node with caution as it can violate the current
conservation law that is inherent in Maxwell-Ampère’s law.

Add a contribution as a Harmonic Perturbation by right-clicking the parent node or

clicking Harmonic Perturbation on the Physics toolbar. For more information see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

CURRENT SOURCE
Enter a value or expression for the Current source Qj (SI unit: A/m3). The default is
0 A/m3.

Electric Insulation
The Electric Insulation node, which is the default boundary condition, adds electric
insulation as the boundary condition:

n⋅J = 0

This boundary condition means that no electric current flows into the boundary. At
interior boundaries, it means that no current can flow through the boundary and that
the electric potential is discontinuous across the boundary. It is also applicable at
symmetric boundaries where the potential is known to be symmetric with respect to
the boundary.

68 | CHAPTER 3: AC/DC INTERFACES

Electric insulation as the default boundary condition is not applicable to interior
boundaries. To add electric insulation to an interior boundary, add an Electric
Insulation node in addition to the one that represents the default boundary condition.

Floating Potential
The Floating Potential node is used when modeling a metallic electrode at floating
potential. It applies a constant voltage V0 on the boundary (for domain features, this
is the boundary enclosing the selected domain), such that the total normal electric
current density J equals a specific current I0:

V = V0

 ( –n ⋅ J ) dS = I0 ,
∂Ω

where Ω represents the boundary and n refers to the surface normal. The constant
boundary voltage implies the tangential electric field equals zero; the electric field will
be perpendicular to the boundary:

–∇t V = Et = 0
n × E = 0.

In case of I0 = 0 (the default case), the boundary will behave as an unconnected perfect
conductor (a floating equipotential). This is a good approximation when the
conductivity of the electrode is many orders of magnitude larger than that of the
surrounding medium. Although locally the current density may vary, the total current
entering or leaving the boundary equals zero.

If the floating potential touches a point, boundary or domain feature that is not
floating (a Terminal or Ground feature), the floating potential will acquire that feature's
potential. If the floating potential is set to a certain current, or connected to a circuit,
it behaves like a terminal.

The Harmonic Perturbation subnode (it is of the exclusive type) is available from the
context menu (right-click the parent node) or on the Physics toolbar, click the
Attributes menu and select Harmonic Perturbation. For more information see Harmonic
Perturbation — Exclusive and Contributing Nodes in the COMSOL Multiphysics
Reference Manual.

THE ELECTRIC CURRENTS INTERFACE | 69

 FLOATING POTENTIAL
The Floating potential identifier text area shows the unique identifier for the floating
potential feature. It is used to identify the global variables created by the node, such as
the voltage. The Floating potential group check box on the Settings window for Floating
Potential controls how potentials are assigned to boundary segments in the feature’s
boundary selection. If this check box is not selected, a single potential is applied to all
boundaries in the selection. If the check box is selected, each group of contiguous
boundaries in the selection is given a unique potential. This simplifies the setup of
models with many floating electrodes. The values of the potential at each group of
boundaries are then made available in postprocessing, collected in a vector variable.

The following options are not available if the Floating potential group check box is
selected. Select a specification for the Floating potential current—choose User defined
(the default) to specify a total Current I0 (SI unit: A) that flows from the electrode. The
default is 0 A, corresponding to an unconnected electrode. Select Circuit to connect
the floating potential to an Electrical Circuit interface.

Initial values
The initial values subsection is used to provide initial values for the internal state
variables in the Floating Potential. These settings can be useful to provide an initial
guess to the nonlinear solver or the initial value in a time-dependent study when the
initial values of the other dependent variables (such as the electric potential) are
computed from a separate physics or study. In most cases, the default values are
appropriate.

Enter an Initial value for voltage Vinit (SI unit: V). The default is 0 V.

CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

Settings and Properties Windows for Feature Nodes in the COMSOL

Multiphysics Reference Manual

Boundary Current Source

The Boundary Current Source node adds a current source Qj on the boundary.

n ⋅ ( J1 – J2 ) = Qj

70 | CHAPTER 3: AC/DC INTERFACES

It is applicable to interior boundaries that represent either a source or a sink of current.
Add a contribution as a Harmonic Perturbation by right-clicking the parent node or
click Harmonic Perturbation on the Physics toolbar. For more information see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

BOUNDARY CURRENT SOURCE

Enter a value or expression for the Boundary current source Qj (SI unit: A/m2). The
default is 0 A/m2.

Normal Current Density

The Normal Current Density node is applicable to exterior boundaries that represent
either a source or a sink of current. It provides a condition for specifying the normal
current density as an inward or outward current flow:

–n ⋅ J = Jn

Or alternatively, as a current density J0:

n ⋅ J = n ⋅ J0

The normal current density is positive when the current flows inward in the domain.
Add a contribution as a Harmonic Perturbation by right-clicking the parent node or
clicking Harmonic Perturbation on the Physics toolbar. For more information see
Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

NORMAL CURRENT DENSITY

Select a Type—Inward current density (the default) or Current density.

• For Inward current density enter a value or expression for the Normal current density
Jn (SI unit: A/m2). Use a positive value for an inward current flow or a negative
value for an outward current flow. The default is 0 A/m2.
• For Current density enter values or expressions for the components of the Current
density J0 (SI unit: A/m2). The defaults are 0 A/m2.

THE ELECTRIC CURRENTS INTERFACE | 71

 Distributed Impedance
The Distributed Impedance node adds a distributed impedance boundary condition to
a model.

The Harmonic Perturbation subnode (it is of the exclusive type) is available from the
context menu (right-click the parent node) or on the Physics toolbar, click the
Attributes menu and select Harmonic Perturbation. For more information see Harmonic
Perturbation — Exclusive and Contributing Nodes in the COMSOL Multiphysics
Reference Manual.

Use this boundary condition to model a thin sheet of a resistive material connected to
a reference potential Vref.

The layer impedance can be specified either with the bulk material conductivity σs, the
relative permittivity εr and layer thickness ds, or directly with the surface resistance ρs
and capacitance Cs. Assuming DC currents, the equation is:

σs
n ⋅ ( J 1 – J 2 ) = ----- ( V – V ref )
ds
1
n ⋅ ( J 1 – J 2 ) = ----- ( V – V ref )
ρs

For the Frequency Domain and Time Dependent study types, this boundary condition
is slightly more sophisticated and accounts also for capacitive coupling. The equations
are:

( σ + jωε 0 ε r )
n ⋅ ( J 1 – J 2 ) = -------------------------------- ( V – V ref )
ds

n ⋅ ( J 1 – J 2 ) =  ---- + jωC s ( V – V ref )

1
rs

n ⋅ ( J 1 – J 2 ) = -------  σ ( V – V ref ) + ε 0 ε r ∂ ( V – V ref )

1
dL  ∂t 

n ⋅ ( J 1 – J 2 ) =  ----- ( V – V ref ) + C s ∂ ( V – V ref )

1
 ρs ∂t 

DISTRIBUTED IMPEDANCE
Enter the reference potential Vref (SI unit: V). The default is 0 V.

72 | CHAPTER 3: AC/DC INTERFACES

Select a potentially complex-valued Layer specification—Thin layer (the default) or
Surface impedance.

• For Thin layer, enter values or expressions for the:

- Surface thickness ds (SI unit: m). The default is 5·10−3 m (5 mm).
- Electrical conductivity σ (SI unit: S/m) and Relative permittivity εr
(dimensionless). The defaults take values From material. For User defined, enter
different values or expressions. The default electrical conductivity is 1 × 10−2 S/
m and the default relative permittivity is 1.
• For Surface impedance, enter values or expressions for the Surface resistance ρs
(SI unit: Ω ·m2) and the Surface capacitance Cs (SI unit: F/m2). The default surface
impedance is 1 × 10−8 Ω ·m2 and the default surface capacitance is 0 F/m2.

Terminal
The Terminal node provides a boundary or domain condition for connection to
external circuits, to transmission lines, or with a specified voltage or current. By
specifying zero current, a floating potential condition is obtained. When the Terminal
node is applied on the domain level, the electric potential is set to constant on the
entire domain selection.

The Terminal node also enables the computation of the lumped parameter of the
system, such as the impedance.

The Harmonic Perturbation subnode (it is of the exclusive type) is available from the
context menu (right-click the parent node) or on the Physics toolbar, click the
Attributes menu and select Harmonic Perturbation. The Harmonic Perturbation subnode
only has effect if Current or Voltage are selected as terminal type. For more information
see Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

TE R M I N A L
Specify the terminal’s properties. The Terminal name identifies the terminal and the
variables it creates. The name should be numeric for sweeps to work properly.

Select a Terminal type—Current (the default), Voltage, Circuit, Terminated, or Power.

The Circuit and Power types cannot be used together with a terminal
sweep.

THE ELECTRIC CURRENTS INTERFACE | 73

 Select:

• Current to specify a total current flowing from the terminal. Enter the current I0 (SI
unit: A). The default is 0 A for an open circuit.
• Voltage to specify a fixed electric potential at the terminal. Enter the value of the
electric potential V0 (SI unit: V). The default is 1 V.
• Circuit to specify a terminal connected to an Electrical Circuit interface that models
an external circuit.
• Terminated to connect the terminal to an impedance that might represent a load or
a transmission line. When Terminated is selected, the scattering parameters
(S-parameters) are computed.
- Enter a Terminal power P0 (SI unit: W) to specify the input power at this terminal
from the transmission line. This excitation can be toggled using a terminal sweep.
The default is 1 W.
- Select an option from the Characteristic impedance from list to define the value of
the impedance—Physics interface (the default) or User defined. For Physics
interface the Reference impedance Zref defined on the Settings window for the
physics interface under Sweep Settings is used. For User defined enter a specific
impedance Zref (SI unit: Ω) for this terminal. The default is 50 Ω.
• Power to specify a fixed electrical power for the terminal. The power is computed as
the product of the terminal current and voltage and, in frequency domain, is the
cycle-averaged power. When Power is selected:

- Enter a Terminal power P0 (SI unit: W) to specify the input power at this terminal.
The default is 1 W.

Using Power excitation causes the equation system to become nonlinear.

COMSOL Multiphysics automatically adjusts the solver settings when
Power is selected.

Be aware that, in general, the values of the voltage and the current might
not uniquely be determined by this constraint and may depend on the
initial value provided for the current and voltage variables. Particularly in
the frequency domain, the absolute phase of the quantities can be
arbitrary. This indeterminacy can have an impact on the solution process.
See Compile Equations in the COMSOL Multiphysics Reference
Manual for a possible solution to this problem.

74 | CHAPTER 3: AC/DC INTERFACES

Initial Values
The initial values subsection is used to provide initial values for the internal state
variables in the Terminal. These settings can be useful to provide an initial guess to the
nonlinear solver or the initial value in a time-dependent study when the initial values
of the other dependent variables (such as the electric potential) are computed from a
separate physics or study. In most cases, the default values are appropriate.

The Initial value for voltage is available for all Terminal types except Voltage. Enter an
Initial value for voltage Vinit (SI unit: V). The default is 0 V.

The Initial value for current is available for Power only. In this case, it provides an initial
guess for the nonlinear solver, and should not be set to zero. The initial value provided
may affect the solution. Enter an Initial value for current Iinit (SI unit: A). The default
is 1 mA.

CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

Contact Impedance
Use the Contact Impedance node on interior boundaries to model a thin layer of
resistive material. It can also be added as a pair using a Pair Contact Impedance node.
The feature allows specifying the contact impedance either by entering the properties
of the material together with the layer thickness, or by entering the impedance
properties of the thin layer directly.

The feature, in stationary studies, applies the following conditions that relate the
normal electric current density with the jump in the electric potential:

σ
n ⋅ J 1 = ------ ( V 1 – V 2 )
ds
σ
n ⋅ J 2 = ------ ( V 2 – V 1 )
ds
1
n ⋅ J 1 = ----- ( V 1 – V 2 )
ρs
1
n ⋅ J 2 = ----- ( V 2 – V 1 )
ρs

The first two equations refer to a layer impedance specified using the bulk material
conductivity σs and the layer thickness ds, while the last two equations refer to the case
in which the surface resistance ρs is specified. The indices 1 and 2 refer to the two sides

THE ELECTRIC CURRENTS INTERFACE | 75

 of the boundary. These parameters work the same as with Distributed Impedance.

For the frequency domain and Time Dependent study types, this boundary condition
is slightly more sophisticated and accounts also for capacitive coupling. The bulk
material relative permittivity εr or the layer capacitance Cs can be specified.

The equations used in Frequency Domain studies are:

( σ + jωε 0 ε r )
n ⋅ J 1 = -------------------------------- ( V 1 – V 2 )
ds
( σ + jωε 0 ε r )
n ⋅ J 2 = -------------------------------- ( V 2 – V 1 )
ds

n ⋅ J 1 =  ----- + jωC s ( V 1 – V 2 )
1
 ρs 

n ⋅ J 2 =  ----- + jωC s ( V 2 – V 1 )
1
 ρs 

In Time Dependent studies:

∂
n ⋅ J 1 = -----  σ ( V 1 – V 2 ) + ε 0 ε r ( V 1 – V 2 )
1
ds  ∂t 

n ⋅ J 2 = -----  σ ( V 2 – V 1 ) + ε 0 ε r ∂ ( V 2 – V 1 )
1
ds  ∂t 

n ⋅ J 1 =  ----- ( V 1 – V 2 ) + C s ∂ ( V 1 – V 2 )
1
 ρs ∂t 

∂
n ⋅ J 2 =  ----- ( V 2 – V 1 ) + C s ( V 2 – V 1 )
1
 ρs ∂t 

CONTACT IMPEDANCE
Select a potentially complex-valued Layer specification—Thin layer (the default) or
Surface impedance.

• For Thin layer, enter values or expressions for the:

- Surface thickness ds (SI unit: m). The default is 5·10−3 m (5 mm).
- Electrical conductivity σ (SI unit: S/m) and Relative permittivity εr
(dimensionless). The defaults take values From material. For User defined, enter

76 | CHAPTER 3: AC/DC INTERFACES

 different values or expressions. The default electrical conductivity is 1 × 10−2 S/
m and the default relative permittivity is 1.
• For Surface impedance, enter values or expressions for the Surface resistance ρs (SI
unit: Ω ·m2) and the Surface capacitance Cs (SI unit: F/m2). The default surface
impedance is 1 × 10−8 Ω ·m2 and the default surface capacitance is 0 F/m2.

Thin-Film Resistance: Application Library path COMSOL_Multiphysics/

Electromagnetics/thin_film_resistance

Sector Symmetry
Select Sector Symmetry at interfaces between rotating objects where sector symmetry
is used. It is only available for pairs. A default subnode is added. Right-click to select
additional features from the Fallback Features submenu. In 2D, this feature assumes
rotation around the origin.

This feature is always used in conjunction with a Periodic Condition on

adjacent radial sector boundaries. Note that the same periodic condition
feature cannot be used on both sides of where the sector symmetry
boundaries connect with the periodic boundaries. At least two periodic
condition features are required for the model to compute correctly.

PAIR SELECTION
When using nonconforming meshes on the source and destination of a pair, for
numerical stability, a finer mesh should be applied on the destination side for any pair
with a condition that imposes a coupling or a constraint across the pair. The sector
symmetry feature falls into this category.

SECTOR SETTINGS
Enter the Number of sectors (<50) nsect. The default is 2.

Select a Type of periodicity — Continuity (the default) or Antiperiodicity.

Based on space dimension, enter values or expressions in the table for the Axis of
rotation arot.

CONSTRAINT SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.

THE ELECTRIC CURRENTS INTERFACE | 77

 Line Current Source
The Line Current Source node adds a line source to edges in 3D components and to
points in 2D and 2D axisymmetric components. The line source represents electric
current per unit length.

EDGE OR POINT SELECTION

Beware that constraining the potential on edges or points usually yields a

current outflow that is mesh dependent.

LINE CURRENT SOURCE

Enter a value or expression to apply a Line current source Qj (SI unit: A/m). This
source represents electric current per unit length. The default is 0 A/m.

Line Current Source (on Axis) for 2D axisymmetric components.

Line Current Source (on Axis)

The Line Current Source (on Axis) node adds a line source to boundaries in 2D
axisymmetric components. The line source represents electric current per unit length.

LINE CURRENT SOURCE (ON AXIS)

Enter a value or expression to apply a Line current source Qj (SI unit: A/m) to
boundaries. This source represents electric current per unit length.

Line Current Source

Point Current Source

The Point Current Source node adds a point source and represents an electric current
flowing out of the point. Add point sources to 3D components from the Points menu.
Add a contribution as a Harmonic Perturbation by right-clicking the parent node or
clicking Harmonic Perturbation on the Physics toolbar. For more information see

78 | CHAPTER 3: AC/DC INTERFACES

Harmonic Perturbation — Exclusive and Contributing Nodes in the COMSOL
Multiphysics Reference Manual.

PO IN T S EL EC TIO N

Beware that constraining the potential on points usually yields a current

outflow that is mesh dependent.

PO INT CURRENT SOURCE

Enter a value or expression to apply a Point current source Qj (SI unit: A) to points.
This source represents an electric current flowing out of the point.

• Line Current Source for 2D components

• Point Current Source (on Axis) for 2D axisymmetric components

Point Current Source (on Axis)

The Point Current Source (on Axis) node adds a point source and represents an electric
current flowing out of the point in 2D axisymmetric components.

PO IN T S EL EC TIO N

Beware that constraining the potential on points usually yields a current

outflow that is mesh dependent.

PO INT CURRENT SOURCE

Enter a value or expression to apply a Point current source Qj (SI unit: A) to points.
This source represents an electric current flowing out of the point.

• Point Current Source for 3D components

• Line Current Source for 2D components

THE ELECTRIC CURRENTS INTERFACE | 79

 Piezoresistive Material
The Piezoresistive Material is normally used together with a Piezoresistive Effect, Domain
Currents multiphysics coupling node. The node is added by default to the Electric
Currents interface when adding a Piezoresistivity, Domain Currents predefined
multiphysics coupling interface. It is also available from the context menu (right-click
the Electric Currents interface parent node) or from the Physics toolbar.

When the Piezoresistive Material node is added to the Electric Currents

interface in the absence of an active Piezoelectric Effect, Domain Currents
multiphysics coupling node, the material behaves similarly to a Current
Conservation node, with electric properties corresponding to the relative
permittivity and electrical conductivity entered. The piezoresistive effect
is not included in the corresponding equation system.

PIEZORESISTIVE MATERIAL PROPER TY

This node should be used together with an active Piezoresistive Effect, Domain Currents
multiphysics coupling node. Select a Constitutive model — Piezoresistance form or
Elastoresistance form. For each of the following, the default uses values From material.
For User defined enter other values in the matrix or field.

• Specify a Electrical conductivity, zero stress (SI unit: S/m). This typically comes from
the material added under the Materials node.
• For Piezoresistance form, select a Piezoresistance coupling matrix Πl (SI unit: m4/
(s⋅A2); note that this is equivalent to Ω⋅m/Pa).
• For a Elastoresistance form, select an Elastoresistance coupling matrix Ml
(SI unit: Ω⋅m).

80 | CHAPTER 3: AC/DC INTERFACES

T he E le c tr i c a l Ci rcu i t In t erface
The Electrical Circuit (cir) interface ( ), found under the AC/DC branch ( ) when
adding a physics interface, is used to model currents and voltages in circuits including
voltage and current sources, resistors, capacitors, inductors, and semiconductor
devices. Models created with the Electrical Circuit interface can include connections
to distributed field models. The physics interface supports stationary,
frequency-domain and time-domain modeling and solves Kirchhoff's conservation
laws for the voltages, currents and charges associated with the circuit elements.

When this physics interface is added, it adds a default Ground Node feature and
associates that with node zero in the electrical circuit.

Circuit nodes are nodes in the electrical circuit (electrical nodes) and
should not be confused with nodes in the Model Builder tree of the
COMSOL Multiphysics software. Circuit node names are not restricted
to numerical values but can contain alphanumeric characters.

DEVICE NAMES
Each circuit component has an associated Device name, which is constructed from a
prefix identifying the type of the device and a string. The string can be specified in the
feature’s Settings window. The Device name is used to identify variables defined by the
component, and for the SPICE Import and Exportfunctionality.

SETTINGS
The Label is the default physics interface name.

The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers and
underscores (_) are permitted in the Name field. The first character must be a letter.

The default Name (for the first physics interface in the model) is cir.

THE ELECTRICAL CIRCUIT INTERFACE | 81

 RESISTANCE IN PARALLEL TO PN JUNCTIONS
For numerical stability, a large resistance is added automatically in parallel to the pn
junctions in diodes and BJT devices. Enter a default value for the Resistance in parallel
to pn junctions Rj (SI unit: Ω). The default value is 1·1012 Ω.

CREATE UNIQUE NODES FOR NEW DEVICES

When this setting is selected (the default), newly added devices will be assigned unused
node names. The devices will be disconnected from the rest of the circuit and the
nodes should be updated to reflect the actual circuit connections. When the this setting
is deselected, new devices will be connected to the lowest-numbered nodes starting
from 0.

• Theory for the Electrical Circuit Interface

• Connecting to Electrical Circuits

E L E C T R I C A L C I R C U I T TO O L B A R
The following nodes are available from the Electrical Circuit ribbon toolbar (Windows
users), Electrical Circuit context menu (Mac or Linux users), or right-click to access the
context menu (all users).:

For step-by-step instructions and general documentation

descriptions, this is the Electrical Circuit toolbar.

82 | CHAPTER 3: AC/DC INTERFACES

 • Ground Node • Subcircuit Definition
• Resistor • Subcircuit Instance
• Capacitor • Mutual Inductance
• Inductor • Transformer
• Voltage Source • NPN BJT and PNP BJT2
• Current Source • n-Channel MOSFET and
• Diode p-Channel MOSFET2

• Voltage-Controlled Voltage Source1 • External I vs. U3

• Voltage-Controlled Current Source1 • External U vs. I3

• Current-Controlled Voltage Source1 • External I-Terminal3

• Current-Controlled Current Source1 • SPICE Circuit Import

• SPICE Circuit Export
1
Selected from the Dependent Sources submenu when you right-click main node.
2
Selected from the Transistors submenu when you right-click main node.
3 Selected from the External Couplings submenu when you right-click main node.

Ground Node
The Ground Node ( ) feature adds a ground node with the default node number zero
to the electrical circuit. This is the default node in the Electrical Circuit interface. More
ground nodes can be added but those must have unique node numbers and are by
default given higher node numbers.

GROUND CONNECTION
Set the Node name for the ground node in the circuit. The convention is to use 0 (zero)
for the ground node. If adding more ground nodes. each must have a unique node
name (number).

Resistor
The Resistor ( ) feature connects a resistor between two nodes in the electrical
circuit.

DEVICE NAME
Enter a Device name for the resistor. The prefix is R.

THE ELECTRICAL CIRCUIT INTERFACE | 83

 NODE CONNECTIONS
Set the two Node names for the connecting nodes for the resistor.

DEVICE PARAMETERS
Enter the Resistance of the resistor.

Capacitor
The Capacitor ( ) feature connects a capacitor between two nodes in the electrical
circuit.

DEVICE NAME
Enter a Device name for the capacitor. The prefix is C.

NODE CONNECTIONS
Set the two Node names for the connecting nodes for the capacitor.

DEVICE PARAMETERS
Enter the Capacitance of the capacitor.

Inductor
The Inductor ( ) feature connects an inductor between two nodes in the electrical
circuit.

DEVICE NAME
Enter a Device name for the inductor. The prefix is L.

NODE CONNECTIONS
Set the two Node names for the connecting nodes for the inductor.

DEVICE PARAMETERS
Enter the Inductance of the inductor.

Voltage Source
The Voltage Source ( ) feature connects a voltage source between two nodes in the
electrical circuit.

84 | CHAPTER 3: AC/DC INTERFACES

DEVICE NAME
Enter a Device name for the voltage source. The prefix is V.

NODE CONNECTIONS
Set the two Node names for the connecting nodes for the voltage source. The first node
represents the positive reference terminal.

DEVICE PARAMETERS
Enter the Source type that should be adapted to the selected study type. It can be
DC-source, AC-source, or a time-dependent Sine source or Pulse source. Depending on
the choice of source, also specify the following parameters:

• For a DC-source, the Voltage Vsrc (default value: 1 V). DC-sources are active in
Stationary and Time-Dependent studies.
• For an AC-source: the Voltage Vsrc (default value: 1 V) and the Phase Θ (default
value: 0 rad). AC-sources are active in Frequency Domain studies only.
• For a sine source: the Voltage Vsrc (default value: 1 V), the Offset Voff (default value:
0 V), the Frequency (default value: 1 kHz), and the Phase Θ (default value: 0 rad).
The sine sources are active in Time-Dependent studies and also in Stationary
studies, providing that a value for t has been provided as a model parameter or
global variable.
• For a pulse source: the Voltage Vsrc (default value: 1 V), the Offset Voff (default value:
0 V), the Delay td (default value: 0s), the Rise time tr and Fall time tf (default values:
0 s), the Pulse width pw (default value: 1 μs), and the Period Tper (default value: 2 μs).
The pulse sources are active in Time-Dependent studies and also in Stationary
studies, providing that a value for t has been provided as a model parameter or
global variable.

All values are peak values rather than RMS.

For the AC source, the frequency is a global input set by the solver. AC
sources should be used in Frequency-domain studies only. Do not use the
Sine source unless the model is time-dependent.

Current Source
The Current Source ( ) feature connects a current source between two nodes in the
electrical circuit.

THE ELECTRICAL CIRCUIT INTERFACE | 85

 DEVICE NAME
Enter a Device name for the current source. The prefix is I.

NODE CONNECTIONS
Set the two Node names for the connecting nodes for the current source. The first node
represents the positive reference terminal from where the current flows through the
source to the second node.

DEVICE PARAMETERS
Enter the Source type that should be adapted to the selected study type. It can be
DC-source, AC-source, or a time-dependent Sine source or Pulse source. Depending on
the choice of source, also specify the following parameters:

• For a DC-source, the Current isrc (default value: 1 A). DC-sources are active in
Stationary and Time-Dependent studies.
• For an AC-source: the Current isrc (default value: 1 A) and the Phase Θ (default
value: 0 rad). AC-sources are active in Frequency Domain studies only.
• For a sine source: the Current isrc (default value: 1 A), the Offset ioff (default value:
0 A), the Frequency (default value: 1 kHz), and the Phase Θ (default value: 0 rad).
The sine sources are active in Time-Dependent studies and also in Stationary
studies, providing that a value for t has been provided as a model parameter or
global variable.
• For a pulse source: the Current isrc (default value: 1 A), the Offset ioff (default value:
0 A), the Delay td (default value: 0 s), the Rise time tr and Fall time tf (default values:
0 s), the Pulse width pw (default value: 1 μs), and the Period Tper (default value: 2 μs).
The pulse sources are active in Time-Dependent studies and also in Stationary
studies, providing that a value for t has been provided as a model parameter or
global variable.

All values are peak values rather than RMS.

For the AC source, the frequency is a global input set by the solver. AC
sources should be used in Frequency-domain studies only. Do not use the
Sine source unless the model is time-dependent.

86 | CHAPTER 3: AC/DC INTERFACES

Voltage-Controlled Voltage Source
The Voltage-Controlled Voltage Source ( ) feature connects a voltage-controlled
voltage source between two nodes in the electrical circuit. A second pair of nodes
define the input control voltage.

DEVICE NAME
Enter a Device name for the voltage-controlled voltage source. The prefix is E.

NODE CONNECTIONS
Specify four Node names: the first pair for the connection nodes for the voltage source
and the second pair defining the input control voltage. The first node in a pair
represents the positive reference terminal.

DEVICE PARAMETERS
Enter the voltage Gain. The resulting voltage is this number multiplied by the control
voltage.

Voltage-Controlled Current Source

The Voltage-Controlled Current Source ( ) feature connects a voltage-controlled
current source between two nodes in the electrical circuit. A second pair of nodes
define the input control voltage.

DEVICE NAME
Enter a Device name for the voltage-controlled current source. The prefix is G.

NODE CONNECTIONS
Specify four Node names: the first pair for the connection nodes for the current source
and the second pair defining the input control voltage. The first node in a pair
represents the positive voltage reference terminal or the one from where the current
flows through the source to the second node.

DEVICE PARAMETERS
Enter the source Gain (SI units: S). The resulting current is this number multiplied by
the control voltage. It represents the transconductance of the source.

THE ELECTRICAL CIRCUIT INTERFACE | 87

 Current-Controlled Voltage Source
The Current-Controlled Voltage Source ( ) feature connects a current-controlled
voltage source between two nodes in the electrical circuit. The input control current
is the one flowing through a two-pin device.

DEVICE NAME
Enter a Device name for the current-controlled voltage source. The prefix is H.

NODE CONNECTIONS
Set two Node names for the connection nodes for the voltage source. The first node in
a pair represents the positive reference terminal.

DEVICE PARAMETERS
Enter the voltage Gain and select the Device whose current is taken as the control
current. The resulting voltage is this number multiplied by the control current through
the named Device (any two-pin device). Thus it formally has the unit of resistance.

Current-Controlled Current Source

The Current-Controlled Current Source ( ) feature connects a current-controlled
current source between two nodes in the electrical circuit. The input control current
is the one flowing through a named device that must be a two-pin device.

DEVICE NAME
Enter a Device name for the current-controlled current source. The prefix is F.

NODE CONNECTIONS
Specify two Node names for the connection nodes for the current source. The first node
in a pair represents the positive reference terminal from where the current flows
through the source to the second node.

DEVICE PARAMETERS
Enter the current Gain and select the Device whose current is taken as the control
current. The resulting current is this number multiplied by the control current
through the Device.

88 | CHAPTER 3: AC/DC INTERFACES

Subcircuit Definition
The Subcircuit Definition ( ) feature is used to define subcircuits, which can be
inserted as devices into the main circuit using Subcircuit Instance nodes. Create the
subcircuit by adding subnodes to the Subcircuit Definition node, either by using the
Physics toolbar, or by right-clicking the Subcircuit Definition.

SUBCIRCUIT PINS
Define the Pin names at which the subcircuit connects to the main circuit or to other
subcircuits when referenced by a Subcircuit Instance node. The Pin names refer to
circuit nodes in the subcircuit. The order in which the Pin names are defined is the
order in which they are referenced by a Subcircuit Instance node. The devices
constistuting the subcircuit should be connected only to the subcircuit’s pins and to
themselves.

Subcircuit Instance
The Subcircuit Instance ( ) feature represents an instance of a subcircuits defined by
a Subcircuit Definition feature.

DEVICE NAME
Enter a Device name for the subcircuit instance. The prefix is X.

NODE CONNECTIONS
Select the Name of subcircuit link from the list of defined subcircuits in the circuit model
and the circuit Node names at which the subcircuit instance connects to the main circuit
or to another subcircuit if used therein.

NPN BJT and PNP BJT

The NPN BJT ( ) and the PNP BJT ( ) device models are large-signal models for
bipolar junction transistors (BJT). It is an advanced device model and no thorough
description and motivation of the many input parameters are attempted here. Many
device manufacturers provide model input parameters for this BJT model. For any
particular make of BJT, the device manufacturer should be the primary source of
information.

DEVICE NAME
Enter a Device name for the BJT. The prefix is Q.

THE ELECTRICAL CIRCUIT INTERFACE | 89

 NODE CONNECTIONS
Specify three Node names for the connection nodes for the BJT device. These represent
the collector, base, and emitter nodes for the NPN transistor, and the emitter, base, and
collector nodes for the PNP transistor.

MODEL PARAMETERS
Specify the Model Parameters. Reasonable defaults are provided but for any particular
BJT, the device manufacturer should be the primary source of information.

The interested reader is referred to Ref. 1 for more details on

semiconductor modeling within circuits.

For an explanation of the Model Parameters see Bipolar Transistors.

n-Channel MOSFET and p-Channel MOSFET

The n-Channel MOSFET ( ) and the p-Channel MOSFET ( ) device models are
large-signal models for, respectively, an n-Channel MOS field-effect transistor
(MOSFET) and p-Channel MOSFET. These are advanced device models and no
thorough description and motivation of the many input parameters are attempted
here. Many device manufacturers provide model parameters for the MOSFET models.
For any particular make of MOSFET, the device manufacturer should be the primary
source of information.

DEVICE NAME
Enter a Device name for the MOSFET. The prefix is M.

NODE CONNECTIONS
Specify four Node names for the connection nodes for the n-Channel MOSFET or
p-Channel MOSFET device. These represent the drain, gate, source, and bulk nodes,
respectively.

90 | CHAPTER 3: AC/DC INTERFACES

MODEL PARAMETERS
Specify the Model Parameters. Reasonable defaults are provided but for any particular
MOSFET, the device manufacturer should be the primary source of information.

The interested reader is referred to Ref. 1 for more details on

semiconductor modeling within circuits.

For an explanation of the Model Parameters see MOSFET Transistors.

Mutual Inductance
The Mutual Inductance allows specifying a coupling between two existing Inductor
features in the circuit. The mutual inductance of the coupling is

M = k L1 L2

where k is the coupling factor and L1 and L2 are the inductances of the inductors.

DEVICE PARAMETERS
Enter values or expressions for the:

• Coupling factor k (dimensionless). The value must be between 0 and 1, and the
default is 0.98.
• First inductance L1 (SI unit: H) and Second inductance L2 (SI unit: H). These must
be set to two different Inductor features in the circuit.

Transformer
The Transformer feature represents either a combination of two Inductor and a Mutual
Inductance features, or an ideal transformer.

NODE CONNECTIONS
Enter or edit the table in the Node names column for the primary and secondary node
connections.

DEVICE PARAMETERS
Chose a Transformer model—Specify inductors (the default) or Ideal transformer.

For Specify inductors enter values or expressions for the:

• Coupling factor k (dimensionless). The default is 0.98.

THE ELECTRICAL CIRCUIT INTERFACE | 91

 • First inductance L1 (SI unit: H). The default is 1 mH.
• Second inductance L2 (SI unit: H). The default is 1 mH.

For Ideal transformer enter values or expressions for the Winding ratio N1/N2
(dimensionless). The default is 10.

Diode
The Diode device model ( ) is a large-signal model for a diode. It is an advanced
device model and no thorough description and motivation of the many input
parameters are attempted here. The interested reader is referred to Ref. 1 for more
details on semiconductor modeling within circuits. Many device manufacturers
provide model parameters for this diode model. For any particular make of diode, the
device manufacturer should be the primary source of information.

DEVICE NAME
Enter a Device name for the diode. The prefix is D.

NODE CONNECTIONS
Specify two Node names for the positive and negative nodes for the Diode device.

MODEL PARAMETERS
Specify the Model Parameters. Reasonable defaults are provided but for any particular
diode, the device manufacturer should be the primary source of information.

For an explanation of the Model Parameters see Diode.

External I vs. U
The External I vs. U ( ) feature connects an arbitrary voltage measurement (for
example, a circuit terminal or circuit port boundary or a coil domain from another
physics interface) as a voltage source between two nodes in the electrical circuit. The
resulting circuit current from the first node to the second node is typically coupled
back as a prescribed current source in the context of the voltage measurement.

DEVICE NAME
Enter a Device name for the External I vs. U node.

92 | CHAPTER 3: AC/DC INTERFACES

NODE CONNECTIONS
Specify the two Node names for the connecting nodes for the voltage source. The first
node represents the positive reference terminal.

EXTERNAL DEVICE
Enter the source of the Voltage. If circuit or current excited terminals or circuit ports
are defined on boundaries or domains or a multiturn coil domains is defined in other
physics interfaces, these display as options in the Voltage list. Also select the User defined
option and enter your own voltage variable, for example, using a suitable coupling
operator. For inductive or electromagnetic wave propagation models, the voltage
measurement must be performed as an integral of the electric field because the electric
potential only does not capture induced EMF. Also the integration must be performed
over a distance that is short compared to the local wavelength.

Except when coupling to a circuit terminal, circuit port, or coil, the

current flow variable must be manually coupled back in the electrical
circuit to the context of the voltage measurement. This applies also when
coupling to a current excited terminal. The name of this current variable
follows the convention cirn.IvsUm_i, where cirn is the tag of the
Electrical Circuit interface node and IvsUm is the tag of the External I vs.
U node. The tags are typically displayed within curly brackets {} in the
Model Builder.

Component Couplings and Coupling Operators in the COMSOL

Multiphysics Reference Manual

External U vs. I
The External U vs. I ( ) feature connects an arbitrary current measurement (for
example, a coil domain from another physics interface) as a current source between
two nodes in the electrical circuit. The resulting circuit voltage between the first node
and the second node is typically coupled back as a prescribed voltage source in the
context of the current measurement.

DEVICE NAME
Enter a Device name for the External U vs. I node.

THE ELECTRICAL CIRCUIT INTERFACE | 93

 NODE CONNECTIONS
Specify the two Node names for the connecting nodes for the current source. The
current flows from the first node to the second node.

EXTERNAL DEVICE
Enter the source of the Current. Voltage excited terminals or lumped ports defined on
boundaries in other physics interfaces are natural candidates but do not appear as
options in the Voltage list because those do not have an accurate built-in current
measurement variable. A User defined option must be selected and a current variable
entered, for example, using a suitable coupling operator.

The voltage variable must be manually coupled back in the electrical

circuit to the context of the current measurement. This applies also when
coupling to a voltage excited terminal or lumped port. The name of this
voltage variable follows the convention cirn.UvsIm_v, where cirn is the
tag of the Electrical Circuit interface node and UvsIm is the tag of the
External U vs. I node. The tags are typically displayed within curly
brackets {} in the Model Builder.

Component Couplings and Coupling Operators in the COMSOL

Multiphysics Reference Manual

External I-Terminal
The External I-Terminal ( ) feature connects an arbitrary voltage-to-ground
measurement (for example, a circuit terminal from another physics interface) as a
voltage-to-ground assignment to a node in the electrical circuit. The resulting circuit
current from the node is typically coupled back as a prescribed current source in the
context of the voltage measurement. This node does not apply when coupling to
inductive or electromagnetic wave propagation models because then voltage must be
defined as a line integral between two points rather than a single point measurement
of electric potential. For such couplings, use the External I vs. U node instead.

DEVICE NAME
Enter a Device name for the External I-terminal.

94 | CHAPTER 3: AC/DC INTERFACES

NODE CONNECTIONS
Set the Node name for the connecting node for the voltage assignment.

E X T E R N A L TE R M I N A L
Enter the source of the Voltage. If circuit- or current-excited terminals are defined on
boundaries in other physics interfaces, these display as options in the Voltage list. Also
select the User defined option and enter a voltage variable, for example, using a suitable
coupling operator.

Except when coupling to a circuit terminal, the current flow variable must
be manually coupled back in the electrical circuit to the context of the
voltage measurement. This applies also when coupling to a current
excited terminal. The name of this current variable follows the convention
cirn.termIm_i, where cirn is the tag of the Electrical Circuit interface
node and termIm is the tag of the External I-Terminal node. The tags are
typically displayed within curly brackets {} in the Model Builder.

Component Couplings and Coupling Operators in the COMSOL

Multiphysics Reference Manual

SPICE Circuit Import

Right-click the Electrical Circuit ( ) feature node to import an existing SPICE netlist
(select Import Spice Netlist). A window opens—enter a file location or browse your
directories to find one. The default file extension for a SPICE netlist is .cir. The
SPICE circuit import translates the imported netlist into Electrical Circuit interface
nodes so these define the subset of SPICE features that can be imported.

See Spice Import about the supported SPICE commands.

SPICE Circuit Export

Right-click the Electrical Circuit ( ) feature node to export the current circuit to the
SPICE netlist file format (select Export Spice Netlist ). A window opens—enter a
file location or browse your directories to find one. The default file extension for a

THE ELECTRICAL CIRCUIT INTERFACE | 95

 SPICE netlist is .cir. The compatible circuit nodes are exported as SPICE devices

See SPICE Export for more details on the supported SPICE commands.

96 | CHAPTER 3: AC/DC INTERFACES

T he o r y f o r t he E l ec t rost at i cs
Interface
The Electrostatics Interface is available for 3D, 2D in-plane, and 2D axisymmetric
components. Applications with electrostatic equations include high-voltage apparatus,
electronic devices, and capacitors. The term “statics” is not to be interpreted literally—
it is the observation time, or time scale at which the applied excitation changes, that is
short compared to the charge relaxation time; also, the electromagnetic wavelength
and skin depth are very large compared to the size of the domain of interest.

If you do not know whether to use the Electric Currents or the Electrostatics interface,
which both solve for the scalar electric potential V, consider using an explicit charge
transport model. See Charge Relaxation Theory.

Charge Relaxation Theory

COMSOL Multiphysics includes physics interfaces for the modeling of static electric
fields and currents. Deciding what specific physics interface and study type to select for
a particular modeling situation requires a basic understanding of the charge dynamics
in conductors.

The different physics interfaces involving only the scalar electric potential can be
interpreted in terms of the charge relaxation process. The fundamental equations
involved are Ohm’s law

J = σE

the equation of continuity

∂-----
ρ-
+∇⋅J = 0
∂t

and Gauss’ law

∇ ⋅ ( εE ) = ρ

By combining these, one can deduce the following differential equation for the space
charge density in a homogeneous medium

THEORY FOR THE ELECTROSTATICS INTERFACE | 97

 ∂-----
ρ- σ
+ --- ρ = 0
∂t ε

This equation has the solution

–t ⁄ τ
ρ ( t ) = ρ0 e

where

ε
τ = ---
σ

is called the charge relaxation time. For a good conductor like copper, τ is of the order
of 10−19 s, whereas for a good insulator like silica glass, it is of the order of 103 s. For
a pure insulator, it becomes infinite.

When modeling real-world devices, there is not only the intrinsic time scale of the
charge relaxation time but also an external time scale t at which a device is energized
or the observation time. It is the relation between the external time scale and the
charge relaxation time that determines what physics interface and study type to use.
The results are summarized in Table 3-3 below,
TABLE 3-3: SUITABLE PHYSICS INTERFACE AND STUDY TYPE FOR DIFFERENT TIME-SCALE REGIMES.

CASE PHYSICS INTERFACE STUDY TYPE

τ>>t Electrostatics Stationary

τ<<t Electric Currents Stationary
τ~ t Electric Currents Time Dependent orFrequency Domain

FIRST CASE: τ >> T

If the external time scale is short compared to the charge relaxation time, the charges
do not have time to redistribute to any significant degree. Thus the charge distribution
can be considered as a given model input. The best approach is to solve the
Electrostatics formulation using the electric potential V.

By combining the definition of the potential with Gauss’ law, you can derive the
classical Poisson’s equation. Under static conditions, the electric potential V is defined
by the equivalence E = −∇V. Using this together with the constitutive relation D = ε0E
+ P between D and E, you can rewrite Gauss’ law as a variant of Poisson’s equation

– ∇ ⋅ ( ε 0 ∇V – P ) = ρ

98 | CHAPTER 3: AC/DC INTERFACES

This equation is used in the Electrostatics interface. It is worth noting that Gauss’ law
does not require the charge distribution to be static. Thus, provided dynamics are slow
enough that induced electric fields can be neglected and hence a scalar electric
potential is justified, the formulation can be used also in the Time Dependent study
type. That typically involves either prescribing the charge dynamics or coupling a
separate formulation for this.

Such separate charge transport formulations can be found in the Plasma

Module, the Semiconductor Module, and the Chemical Reaction
Engineering Module.

SECOND CASE: τ <<T

If the external time scale is long compared to the charge relaxation time, the stationary
solution to the equation of continuity has been reached. In a stationary coordinate
system, a slightly more general form of Ohm’s law than above states that

J = σE + J e

where Je is an externally generated current density. The static form of the equation of
continuity then reads

∇ ⋅ J = – ∇ ⋅ ( σ ∇V – J e ) = 0

To handle current sources, the equation can be generalized to

– ∇ ⋅ ( σ ∇V – J e ) = Q j

This equation is used in the static study type for the Electric Currents interface.

Electrostatics Equations
Under static conditions, the electric potential, V, is defined by the relationship:

E = – ∇V

Combining this equation with the constitutive relationship D = ε0E + P between the
electric displacement D and the electric field E, it is possible to represent Gauss’ law
as the following equation:

– ∇ ⋅ ( ε 0 ∇V – P ) = ρ

THEORY FOR THE ELECTROSTATICS INTERFACE | 99

 In this equation, the physical constant, ε0 (SI unit: F/m) is the permittivity of vacuum,
P (SI unit: C/m2) is the electric polarization vector, and ρ (SI unit: C/m3) is a space
charge density. This equation describes the electrostatic field in dielectric materials.

For in-plane 2D modeling, the Electrostatics interface assumes a symmetry where the
electric potential varies only in the x and y directions and is constant in the z direction.
This implies that the electric field, E, is tangential to the xy-plane. With this symmetry,
the same equation is solved as in the 3D case. The physics interface solves the following
equation where d is the thickness in the z direction:

– ∇ ⋅ d ( ε 0 ∇V – P ) = ρ

The axisymmetric version of the physics interface considers the situation where the
fields and geometry are axially symmetric. In this case, the electric potential is constant
in the ϕ direction, which implies that the electric field is tangential to the rz-plane.

The Electrostatics Interface in Time Dependent or Frequency Domain

Studies
The Electrostatics Interface can also be solved in a dynamic study (Time Dependent
or Frequency Domain). The equation system solved, however, is always the one
presented in the previous section for the stationary case, in which no transient
electromagnetic effects are taken into account. The difference is that the sources of the
problem (charge densities, electric potential) are assumed to be time-varying (in a
Time Dependent study) or time-harmonic (in a Frequency Domain study). The
support for dynamic studies simplifies the coupling of the Electrostatics interface with
other physics interfaces. Using the physics interface in a dynamic study is a valid
approximation only if the time-scale (or the frequency) of the study is so slow that
transient electromagnetic effects can be neglected; for example, in acoustic or
structural problems.

Most of the features in the Electrostatics interface have the same behavior in all study
types, with the important exception of the Terminal node.

The Electrostatics interface also supports the small-signal analysis study sequence,
which can be used when a time-harmonic perturbation is superposed on a static bias
charge or voltage.

100 | CHAPTER 3: AC/DC INTERFACES

Theory for the Electric Currents
Interface
The Electric Currents Interface solves a current conservation problem for the scalar
electric potential V and is available for 3D, 2D in-plane, and 2D axisymmetric
components. Electrolysis and the computation of resistances of grounding plates are
examples that involve conductive media with electrical conductivities and electric
currents. If you are uncertain of whether to use the Electric Currents or the
Electrostatics interface, which both solve for the scalar electric potential V, refer to the
section on .

In this section:

• Electric Currents Equations in Steady State

• Dynamic Electric Currents Equations

Electric Currents Equations in Steady State

When handling stationary electric currents in conductive media you must consider the
stationary equation of continuity. In a stationary coordinate system, the point form of
Ohm’s law states that:

J = σE + J e

where σ is the electrical conductivity (SI unit: S/m), and Je is an externally generated
current density (SI unit: A/m2). The static form of the equation of continuity then
states:

∇ ⋅ J = – ∇ ⋅ ( σ ∇V – J e ) = 0

To handle current sources, you can generalize the equation to:

– ∇ ⋅ ( σ ∇V – J e ) = Q j

In planar 2D the Electric Currents interface assumes that the model has a symmetry
where the electric potential varies only in the x and y directions and is constant in the
z direction. This implies that the electric field, E, is tangential to the xy-plane. The
Electric Currents interface then solves the following equation, where d is the thickness
in the z direction:

THEORY FOR THE ELECTRIC CURRENTS INTERFACE | 101

 – ∇ ⋅ d ( σ ∇V – J e ) = dQ j (3-1)

In 2D axisymmetry, the Electric Currents interface considers the situation where the
fields and geometry are axially symmetric. In this case, the electric potential is constant
in the ϕ direction, which implies that the electric field is tangential to the rz-plane.

Dynamic Electric Currents Equations

In the Frequency Domain and Time Dependent study types dynamic formulations
accounting for both conduction currents and displacement currents are used.

Combining the time-harmonic equation of continuity

∇⋅J = ∇ ⋅ ( σE + J e ) = – jωρ

with the equation

∇⋅D = ρ

and generalized to handle current sources yields the following equation:

– ∇ ⋅ ( ( σ + jωε 0 )∇V – ( J e + jωP ) ) = Q j

For the transient case, using the transient equation of continuity

∂ρ
∇ ⋅ J = ∇ ⋅ ( σE + J e ) = –
∂t

and generalized to handle current sources the resulting equation becomes:

– ∇ ⋅ ∂ ( ε 0 ∇V – P ) – ∇ ⋅ ( σ∇V – J e ) = Q j (3-2)
∂t

In planar 2D the dynamic formulations also involves the thickness d in the z direction:

– ∇ ⋅ d ( ( σ + jωε 0 )∇V – ( J e + jωP ) ) = dQ j

∂
– ∇ ⋅ d (( ε 0 ∇V – P ) – ∇ ⋅ d ( σ∇V – J e )) = dQj
∂t

102 | CHAPTER 3: AC/DC INTERFACES

Theory for the Electrical Circuit
Interface
The Electrical Circuit Interface theory is discussed in this section:

• Electric Circuit Modeling and the Semiconductor Device Models

• Bipolar Transistors
• MOSFET Transistors
• Diode
• Reference for the Electrical Circuit Interface

Connecting to Electrical Circuits

Electric Circuit Modeling and the Semiconductor Device Models

Electrical circuit modeling capabilities are useful when simulating all sorts of electrical
and electromechanical devices ranging from heaters and motors to advanced plasma
reactors in the semiconductor industry. There are two fundamental ways that an
electrical circuit model relates to a physical field model.

• The field model is used to get a better, more accurate description of a single device
in the electrical circuit model.
• The electrical circuit is used to drive or terminate the device in the field model in
such a way that it makes more sense to simulate both as a tightly coupled system.

The Electrical Circuit interface makes it possible to add nodes representing circuit
elements directly to the Model Builder tree in a COMSOL Multiphysics model. The
circuit variables can then be connected to a physical device model to perform
co-simulations of circuits and multiphysics. The model acts as a device connected to
the circuit so that its behavior is analyzed in larger systems.

The fundamental equations solved by the Electrical Circuit interface are Kirchhoff’s
circuit laws, which in turn can be deduced from Maxwell’s equations. The supported
study types are Stationary, Frequency Domain, and Time Dependent.

THEORY FOR THE ELECTRICAL CIRCUIT INTERFACE | 103

 There are three more advanced large-signal semiconductor device features available in
the Electrical Circuit interface. The equivalent circuits and the equations defining their
non-ideal circuit elements are described in this section. For a more detailed account on
semiconductor device modeling, see Ref. 1.

Bipolar Transistors
Figure 3-1 illustrates the equivalent circuit for the npn bipolar junction transistor.

Figure 3-1: A circuit for the bipolar transistor.

The pnp transistor model is similar in all regards to the npn transistor, with the
difference that the polarities of the currents and voltages involved are reversed. The
following equations are used to compute the relations between currents and voltages
in the circuit.

104 | CHAPTER 3: AC/DC INTERFACES

 R B – R BM
v rb = ----  R BM – -------------------------- i b
1
A  f bq 

 v be
 – --------------
v bc
– --------------  
  NF VT NR VT

= -----------------------------------------------  1 + 1 + 4I S  -------------------------- + -------------------------- 
1 e – 1 e – 1
f bq
v v   I A I A  
2  1 – ----------- – ----------- 
bc be KF KR
 V AF V AR    
v be v be
 I S  – -------------
N V
-
  – --------------
N V 
i be = A  -------  e F T – 1 + I SE  e E T – 1 
B
 F   
v bc v bc
 I S  – --------------
N V   – --------------
N V 
i bc = A  --------  e R T – 1 + I SC  e C T – 1 
B
 R   
v be v bc
 I S  – -------------
N V
- – -------------- 
N V
i ce = A  -------  e F T + e C T 
f
 bq  
k B T NOM
V T = ------------------------
q

There are also two capacitances that use the same formula as the junction capacitance
of the diode model. In the parameter names below, replace x with C for the
base-collector capacitance and E for the base-emitter capacitance.

 v bx  –M Jx
 1 – ---------
 -
 V Jx v bx < F C V Jx
C jbx 
= AC Jx × 
v bx  v bx ≥ F C V Jx
 ( 1 – F ) – 1 – MJx  1 – F ( 1 + M ) + M ---------
 C  C Jx Jx V -
Jx

The model parameters are listed in the table below.

TABLE 3-1: BIPOLAR TRANSISTOR MODEL PARAMETERS

PARAMETER DEFAULT DESCRIPTION

BF 100 Ideal forward current gain

BR 1 Ideal reverse current gain
2
CJC 0 F/m Base-collector zero-bias depletion capacitance
2
CJE 0 F/m Base-emitter zero-bias depletion capacitance
FC 0.5 Breakdown current
2
IKF Inf (A/m ) Corner for forward high-current roll-off
2
IKR Inf (A/m ) Corner for reverse high-current roll-off

THEORY FOR THE ELECTRICAL CIRCUIT INTERFACE | 105

 TABLE 3-1: BIPOLAR TRANSISTOR MODEL PARAMETERS

PARAMETER DEFAULT DESCRIPTION

IS 1e-15 A/m2 Saturation current

ISC 0 A/m2 Base-collector leakage saturation current
ISE 0 A/m2 Base-emitter leakage saturation current
MJC 1/3 Base-collector grading coefficient
MJE 1/3 Base-emitter grading coefficient
NC 2 Base-collector ideality factor
NE 1.4 Base-emitter ideality factor
NF 1 Forward ideality factor
NR 1 Reverse ideality factor
RB 0 Ωm2 Base resistance
RBM 0 Ωm2 Minimum base resistance
RC 0 Ωm2 Collector resistance
RE 0 Ωm2 Emitter resistance
TNOM 298.15 K Device temperature
VAF Inf (V) Forward Early voltage
VAR Inf (V) Reverse Early voltage
VJC 0.71 V Base-collector built-in potential
VJE 0.71 V Base-emitter built-in potential

106 | CHAPTER 3: AC/DC INTERFACES

MOSFET Transistors
Figure 3-2 illustrates an equivalent circuit for the n-channel MOSFET transistor. The
p-channel MOSFET transistor is treated similarly, but the polarities of the involved
voltages are reversed.

Figure 3-2: A circuit for the MOSFET transistor.

The following equations are used to compute the relations between currents and
voltages in the circuit.

THEORY FOR THE ELECTRICAL CIRCUIT INTERFACE | 107

  K
 W - ------P- ( 1 + Λv ds )v ds ( 2v th – v ds ) v ds < v th
 ----
L 2

i ds =  W KP 2
 ----- ------- ( 1 + Λv ds )v th v ds ≥ v th
 L 2
 0 v ds < v th ≤ 0

v th = v gs – ( V TO + Γ ( Φ – v bs – Φ ) )
v bd
 – -----------
NV T
-

i bd = I S  e – 1
 
v bs
 – -----------
NV T
-

i bs = I S  e – 1
 
k B T NOM
V T = ------------------------
q

There are also several capacitances between the terminals

C gd = C gd0 W
C gs = C gs0 W

1 – v
–MJ
 bd
--------
-
  PB  v bx < F C P B
C jbd = C BD × 
 v bx v bx ≥ F C P B
 ( 1 – F ) – 1 – MJ  1 – F ( 1 + M ) + M -------
-
 C  C J JP 
B

The model parameters are as follows:

TABLE 3-2: MOSFET TRANSISTOR MODEL PARAMETERS

PARAMETER DEFAULT DESCRIPTION

CBD 0 F/m Bulk-drain zero-bias capacitance

CGDO 0 F/m Gate-drain overlap capacitance
CGSO 0 F/m Gate-source overlap capacitance
FC 0.5 Capacitance factor
IS 1e-13 A Bulk junction saturation current
2
KP 2e-5 A/V Transconductance parameter
L 50e-6 m Gate length
MJ 0.5 Bulk junction grading coefficient
N 1 Bulk junction ideality factor

108 | CHAPTER 3: AC/DC INTERFACES

TABLE 3-2: MOSFET TRANSISTOR MODEL PARAMETERS

PARAMETER DEFAULT DESCRIPTION

PB 0.75 V Bulk junction potential

RB 0Ω Bulk resistance
RD 0Ω Drain resistance
RDS Inf (Ω) Drain-source resistance
RG 0Ω Gate resistance
RS 0Ω Source resistance
TNOM 298.15 K Device temperature
VTO 0V Zero-bias threshold voltage
W 50e-6 m Gate width
Γ (GAMMA) 0 V0.5 Bulk threshold parameter
Φ (PHI) 0.5 V Surface potential
Λ (LAMBDA) 0 1/V Channel-length modulation

THEORY FOR THE ELECTRICAL CIRCUIT INTERFACE | 109

 Diode
Figure 3-3 illustrates equivalent circuit for the diode.

Figure 3-3: A circuit for the diode.

The following equations are used to compute the relations between currents and
voltages in the circuit.

110 | CHAPTER 3: AC/DC INTERFACES

 i d = i dhl + i drec + i db + i c
vd
 – -----------
NV T
-  1
i dhl = IS  e – 1 ------------------------------------------------------
  vd
I S  – -----------
NV T
-

1 + ---------  e – 1
I KF  
vd
 – --------------
N V 
i drec = I SR  e R T – 1
 
vd + BV
– ------------------
N BV V T
i db = I BV e

 vd  –M
  1 – ------
- vd < FC VJ
  V J
C j = C J0 × 
 – 1 – M vd
 ( 1 – FC ) 1 – F C ( 1 + M ) + M ------- v d ≥ F C V J
  V J


k B T NOM
V T = ------------------------
q

where the following model parameters are required

TABLE 3-3: DIODE TRANSISTOR MODEL PARAMETERS

PARAMETER DEFAULT DESCRIPTION

BV Inf (V) Reverse breakdown voltage

CJ0 0F Zero-bias junction capacitance
FC 0.5 Forward-bias capacitance coefficient
IBV 1e-09 A Current at breakdown voltage
IKF Inf (A) Corner for high-current roll-off
IS 1e-13 A Saturation current
M 0.5 Grading coefficient
N 1 Ideality factor
NBV 1 Breakdown ideality factor
NR 2 Recombination ideality factor
RS 0Ω Series resistance
TNOM 298.15 K Device temperature
VJ 1.0 V Junction potential

THEORY FOR THE ELECTRICAL CIRCUIT INTERFACE | 111

 Reference for the Electrical Circuit Interface
1. P. Antognetti and G. Massobrio, Semiconductor Device Modeling with Spice, 2nd
ed., McGraw-Hill, 1993.

112 | CHAPTER 3: AC/DC INTERFACES

Connecting to Electrical Circuits
In this section:

• About Connecting Electrical Circuits to Physics Interfaces

• Connecting Electrical Circuits Using Predefined Couplings
• Connecting Electrical Circuits by User-Defined Couplings
• Solving
• Postprocessing

About Connecting Electrical Circuits to Physics Interfaces

This section describes the various ways electrical circuits can be connected to other
physics interfaces in COMSOL Multiphysics. If you are not familiar with circuit
modeling, it is recommended that you review the Theory for the Electrical Circuit
Interface.

In general electrical circuits connect to other physics interfaces via one or more of three
special circuit features:

• External I vs. U
• External U vs. I
• External I-Terminal

These features either accept a voltage measurement from the connecting non-circuit
physics interface and return a current from the Electrical Circuit interface or the other
way around.

The “External” features are considered “ideal” current or voltage sources

by the Electrical Circuit interface. Hence, you cannot connect them
directly in parallel (voltage sources) or in series (current sources) with
other ideal sources. This results in the error message The DAE is
structurally inconsistent. A workaround is to provide a suitable parallel
or series resistor, which can be tuned to minimize its influence on the
results.

CONNECTING TO ELECTRICAL CIRCUITS | 113

 Connecting Electrical Circuits Using Predefined Couplings
In addition to these circuit features, interfaces in the AC/DC Module, RF Module,
MEMS Module, Plasma Module, and Semiconductor Module (the modules that
include the Electrical Circuit interface) also contain features that provide couplings to
the Electrical Circuit interface by accepting a voltage or a current from one of the
specific circuit features (External I vs. U, External U vs. I, and External I-Terminal).

This coupling is typically activated when:

• A choice is made in the Settings window for the non-circuit physics interface feature,
which then announces (that is, includes) the coupling to the Electrical Circuit
interface. Its voltage or current is then included to make it visible to the connecting
circuit feature.
• A voltage or current that has been announced (that is, included) is selected in a
feature node’s Settings window.

These circuit connections are supported in Terminals.

Connecting Electrical Circuits by User-Defined Couplings

A more general way to connect a physics interface to the Electrical Circuit interface is
to:

• Apply the voltage or current from the connecting “External” circuit feature as an
excitation in the non-circuit physics interface.
• Define your own voltage or current measurement in the non-circuit physics
interface using variables, coupling operators and so forth.
• In the Settings window for the Electrical Circuit interface feature, selecting the
User-defined option and entering the name of the variable or expression using
coupling operators defined in the previous step.

D E T E R M I N I N G A C U R R E N T O R VO L T A G E VA R I A B L E N A M E
To determine a current or voltage variable name, look at the Dependent Variables node
under the Study node. To do this:

1 In the Model Builder, right-click the Study node and select Show Default Solver.

114 | CHAPTER 3: AC/DC INTERFACES

2 Expand the Solver>Dependent Variables node and click the state node, in this
example, Current through device R1 (comp1.currents). The variable name is shown on
the Settings window for State

Typically, voltage variables are named cir.Xn_v and current variables

cir.Xn_i, where n is the “External” device number—1, 2, and so on.

Solving

Some modeling errors lead to the error message The DAE is structurally
inconsistent, being displayed when solving. This typically occurs from
having an open current loop, from connecting voltage sources in parallel,
or connecting current sources in series.

In this respect, the predefined coupling features are also treated as (ideal)
voltage or current sources. The remedy is to close current loops and to
connect resistors in series with voltage sources or in parallel with current
sources.

CONNECTING TO ELECTRICAL CIRCUITS | 115

 Postprocessing
The Electrical Circuits interface, unlike most of the other physics interfaces, solves for
a relatively large number of Global dependent variables (such as voltages and currents),
instead of solving for a few space-varying fields (such as temperature or displacement).
For this reason, the Electrical Circuit interface does not provide default plots when
computing a Study.

The physics interface defines a number of variables that can be used in postprocessing.
All variables defined by the Electrical Circuit interface are of a global scope, and can
be evaluated in a Global Evaluation node (under Derived Values). In addition, the time
evolution or dependency on a parameter can be plotted in a Global plot (under a 1D
Plot Group node).

The physics interface defines a Node voltage variable for each electrical node in the
circuit, with name cir.v_name, where cir is the physics interface Label and <name>
is the node Name. For each two pin component, the physics interface also defines
variables containing the voltage across it and the current flowing through it.

In the COMSOL Multiphysics Reference Manual:

• Derived Values and Tables and Global Evaluation

• Plot Groups and Plots and Global

116 | CHAPTER 3: AC/DC INTERFACES

Spice Import
SPICE Import
The circuit definition in COMSOL Multiphysics adheres to the SPICE format
developed at the University of California, Berkeley (Ref. 1). SPICE netlists can be
imported and the corresponding circuit nodes are generated in the COMSOL
Multiphysics model. Most circuit simulators can export to this format or some version
of it.

The Electrical Circuit interface supports the following device models:

TABLE 3-4: SUPPORTED SPICE DEVICE MODELS

STATEMENT DEVICE MODEL

R Resistor
C Capacitor
L Inductor
V Voltage Source
I Current Source
E Voltage-Controlled Voltage Source
F Current-Controlled Current Source
G Voltage-Controlled Current Source
H Current-Controlled Voltage Source
D Diode
Q NPN BJT and PNP BJT
M n-Channel MOSFET and p-Channel
MOSFET
X Subcircuit Instance

Statements corresponding to multiple devices are resolved by parsing the associated

.model statement. The physics interface also supports the .subckt statement, which
is represented in COMSOL by a Subcircuit Definition node, and the .include
statement. SPICE commands are interpreted case-insensitively. The statement defining
each device is also interpreted as the Device name.

According to SPICE specification, the first line in the netlist file is assumed to be the
title of the netlist and it is ignored by the parser.

SPICE IMPORT | 117

 SPICE Export
The SPICE Export functionality creates a SPICE netlist file containing a description of
the circuit represented by the physics interface. This functionality can be accessed from
the physics interface context menu (right-click the physics interface node and select
Export SPICE Netlist). After specifying a file name, the circuit is exported and messages
from the export process display in the Messages window. During the export process, a
series of operations are performed:

• In order to avoid conflicts, each component must be identified by a unique Device

name. If one or more components have the same device name, the export operation
fails and an error message is displayed. All characters in a Device name that are not
letters, digits or underscores are replaced by underscores.
• According to the SPICE specification, each circuit must have a node with name 0,
which is assumed to be the only ground node. When exporting a circuit, any node
with name 0 that is not connected to a Ground component is exported with a
different node name. All nodes that are connected to a Ground components are
exported as a merged node with name 0. The Messages window shows a log message
if these operations are performed, showing the name of the renamed or merged
nodes.
• All characters in node names that are not letters, digits or underscores are replaced
by underscores.
• Some components (most notably, the External components used to couple to other
physics interfaces) cannot be exported to a SPICE netlist. These components are
ignored during the export process, and a message is shown in the Messages window.
Note that this can change the exported circuit, since some components are then
missing.
• Subcircuit definitions are added as .subckt statements in the netlist.
Semiconductor devices (such as MOSFETs, BJTs, and diodes) are exported as a
SPICE device with a corresponding .model statement.

The title of the exported netlist file is the model's file name, and the time, date and the
version of COMSOL Multiphysics is added as a comment in the netlist file.

Reference for SPICE Import and Export

1. http://bwrc.eecs.berkeley.edu/Classes/IcBook/SPICE/

118 | CHAPTER 3: AC/DC INTERFACES

 4

Fluid Flow Interface

This chapter has information about the enhanced Laminar Flow interface found
under the Fluid Flow>Single-Phase Flow branch ( ) when adding a physics
interface.

In this chapter:

• The Single-Phase Flow, Laminar Flow Interface

• Theory for the Single-Phase Flow Laminar Interface

119
 T he S i ng le - P hase Fl ow, Lami n ar Fl ow
Interface
In this section:

• The Laminar Flow Interface

• Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow

• Theory for the Single-Phase Flow Laminar Interface

In the COMSOL Multiphysics Reference Manual, see Table 2-3 for links to common
sections such as Discretization, Consistent Stabilization, Inconsistent Stabilization, and
Advanced Settings sections, all accessed by clicking the Show button ( ) and choosing
the applicable option. You can also search for information: press F1 to open the Help
window or Ctrl+F1 to open the Documentation window.

The Laminar Flow Interface

The Laminar Flow (spf) interface ( ) is used to compute the velocity and pressure
fields for the flow of a single-phase fluid in the laminar flow regime. A flow remains
laminar as long as the Reynolds number is below a certain critical value. At higher
Reynolds numbers, disturbances have a tendency to grow and cause transition to
turbulence. This critical Reynolds number depends on the model, but a classical
example is pipe flow where the critical Reynolds number is known to be approximately
2000.

The physics interface supports incompressible flow, weakly compressible flow (the
density depends on temperature but not pressure) and compressible flow at low Mach
numbers (typically less than 0.3). It also supports flow of non-Newtonian fluids.

The equations solved by the Laminar Flow interface are the Navier-Stokes equations
for conservation of momentum and the continuity equation for conservation of mass.

The Laminar Flow interface can be used for stationary and time-dependent analyses.
Time-dependent studies should be used in the high-Reynolds number regime as these
flows tend to become inherently unsteady.

120 | CHAPTER 4: FLUID FLOW INTERFACE

When the Laminar Flow interface is added, the following default nodes are also added
in the Model Builder: Fluid Properties, Wall (the default boundary condition is No slip),
and Initial Values. Other nodes, that implement, for example, boundary conditions and
volume forces, can be added from the Physics toolbar or from the context menu
displayed when right-clicking Laminar Flow.

SETTINGS
The Label is the default physics interface name.

The Name is used primarily as a scope prefix for variables defined by the physics
interface. Physics interface variables can be referred to using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers, and
underscores (_) are permitted in the Name field. The first character must be a letter.

The default Name (for the first physics interface in the model) is spf.

PHYSICAL MODEL

Compressibility
Depending of the fluid properties and the flow regime, three options are available for
the Compressibility option. In general the computational complexity increases from
Incompressible flow to Weakly compressible flow to Compressible flow (Ma<0.3) but the
underlying hypotheses are increasingly more restrictive in the opposite direction.

When the Incompressible flow option (default) is selected, the incompressible form of
the Navier-Stokes and continuity equations is applied. In addition, the fluid density is
evaluated at the Reference pressure level and at the Reference temperature defined in
Reference values. The fluid dynamic viscosity is evaluated at the Reference temperature.

The Weakly compressible flow option models compressible flow when the pressure
dependency of the density can be neglected. When selected, the compressible form of
the Navier-Stokes and continuity equations is applied. In addition, the fluid density is
evaluated at the Reference pressure level defined in Reference values.

When the Compressible flow (Ma<0.3) option is selected, the compressible form of the
Navier-Stokes and continuity equations is applied. Ma < 0.3 indicates that the inlet and
outlet conditions, as well as the stabilization, may not be suitable for transonic and
supersonic flow. For more information, see The Mach Number Limit.

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 Porous Media Domains
With the addition of various modules, the Enable porous media domains check box is
available. Selecting this option, a Fluid and Matrix Properties node, a Mass Source node,
and a Forchheimer Drag subnode are added to the physics interface. These are described
for the Brinkman Equations interface in the respective module’s documentation. The
Fluid and Matrix Properties can be applied on all domains or on a subset of the domains.

Reference values
Reference values are global quantities used to evaluate the density and viscosity of the
fluid when the Incompressible flow or the Weakly compressible flow option is selected.

Reference pressure level There are generally two ways to include the pressure in fluid
flow computations: either to use the absolute pressure pA=p+pref, or the gauge
pressure p. When pref is nonzero, the physics interface solves for the gauge pressure
whereas material properties are evaluated using the absolute pressure. The reference
pressure level is also .

Reference temperature The reference temperature is .

Reference position When Include gravity is selected, the reference position can be
defined. It corresponds to the location where the total pressure (that includes the
hydrostatic pressure) is equal to the Reference pressure level.

DEPENDENT VARIABLES
The following dependent variables (fields) are defined for this physics interface — the
Velocity field u and its components, and the Pressure p.

If required, the names of the field, component, and dependent variable may be edited.
Editing the name of a scalar dependent variable changes both its field name and the
dependent variable name. If a new field name coincides with the name of another field
of the same type, the fields share degrees of freedom and dependent variable names. A
new field name must not coincide with the name of a field of another type or with a
component name belonging to some other field. Component names must be unique
within a model except when two fields share a common field name.

ADVANCED SETTINGS
To display this section, click the Show button ( ) and select Advanced Physics Options.
Normally these settings do not need to be changed.

The Use pseudo time stepping for stationary equation form option adds pseudo time
derivatives to the equation when the Stationary equation form is used in order to speed

122 | CHAPTER 4: FLUID FLOW INTERFACE

up convergence. When selected, a CFL number expression should also be defined. For
the default Automatic option, the local CFL number (from the Courant–Friedrichs–
Lewy condition) is determined by a PID regulator.

• Pseudo Time Stepping for Laminar Flow Models

• Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow
• Theory for the Single-Phase Flow Laminar Interface

DISCRETIZATION
The default discretization for Laminar Flow is P1+P1 elements. That is piecewise linear
interpolation for velocity and pressure. This is suitable for most flow problems.

Some higher order interpolations are also available and these can cost-effective options
to obtain high accuracy for flows with low Reynolds numbers.

The P2+P2 and P3+P3 options, the equal order interpolation options, are the preferred
higher order options since they have higher numerical accuracy than the mixed order
options, P2+P1 and P3+P2. The equal order interpolation options do however require
streamline diffusion to be active.

Flow Past a Cylinder: Application Library path

COMSOL_Multiphysics/Fluid_Dynamics/cylinder_flow

T H E S I N G L E - P H AS E F L OW, L A M I N AR F L O W I N T E R F A C E | 123
 Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow
The following nodes, listed in alphabetical order, are available from the Physics ribbon
toolbar (Windows users), Physics context menu (Mac or Linux users), or by
right-clicking to access the context menu (all users).

• Boundary Stress • Open Boundary

• Flow Continuity • Outlet
• Fluid Properties • Periodic Flow Condition
• Initial Values • Pipe Connection1
• Inlet • Point Mass Source1
• Line Mass Source1 • Pressure Point Constraint
• Symmetry
• Vacuum Pump
• Volume Force
• Wall
1
A feature that may require an additional license

For 2D axisymmetric components, COMSOL Multiphysics takes the axial

symmetry boundaries (at r = 0) into account and adds an Axial Symmetry
node that is valid on the axial symmetry boundaries only.

In the COMSOL Multiphysics Reference Manual, see Table 2-3 for links to common
sections and Table 2-4 to common feature nodes. You can also search for information:
press F1 to open the Help window or Ctrl+F1 to open the Documentation window.

Fluid Properties
The Fluid Properties node adds the momentum and continuity equations solved by the
physics interface, except for volume forces which are added by the Volume Force
feature. The node also provides an interface for defining the material properties of the
fluid.

124 | CHAPTER 4: FLUID FLOW INTERFACE

MODEL INPUTS
Fluid properties, such as density and viscosity, can be defined through user inputs,
variables, or by selecting a material. For the latter option, additional inputs, for
example temperature or pressure, may be required to define these properties.

Temperature
By default, the single-phase flow interfaces are set to model isothermal flow. If a Heat
Transfer interface is included in the component, the temperature field may
alternatively be selected from this physics interface. All physics interfaces have their
own tags (Name). For example, if a Heat Transfer in Fluids interface is included in the
component, the Temperature (ht) option is available for T.

Absolute Pressure
This input appears when a material requires the absolute pressure as a model input.
The absolute pressure is used to evaluate material properties, but it also relates to the
value of the calculated pressure field. There are generally two ways to calculate the
pressure when describing fluid flow: either to solve for the absolute pressure or for a
pressure (often denoted gauge pressure) that relates to the absolute pressure through
a reference pressure.

The choice of pressure variable depends on the system of equations being solved. For
example, in a unidirectional incompressible flow problem, the pressure drop over the
modeled domain is probably many orders of magnitude smaller than the atmospheric
pressure, which, when included, may reduce the stability and convergence properties
of the solver. In other cases, such as when the pressure is part of an expression for the
gas volume or the diffusion coefficients, it may be more convenient to solve for the
absolute pressure.

The default Absolute pressure pA is p+pref, where p is the dependent pressure variable
from the Navier-Stokes or RANS equations, and pref is from the user input defined at
the physics interface level. When pref is nonzero, the physics interface solves for a
gauge pressure. If the pressure field instead is an absolute pressure field, pref should be
set to 0.

The Absolute pressure field can be edited by clicking Make All Model Inputs Editable
( ) and entering the desired value in the input field.

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 FLUID PROPERTIES

Density
If density variations with respect to pressure are to be included in the computations,
the flow must be set to compressible (at the physics interface level).

Dynamic Viscosity
The Dynamic viscosity μ describes the relationship between the shear rate and the shear
stresses in a fluid. Intuitively, water and air have low viscosities, and substances often
described as thick (such as oil) have higher viscosities.

Using the built-in variable for the shear rate magnitude, spf.sr, makes it possible to
define arbitrary expressions of the dynamic viscosity as a function of the shear rate.

The non-Newtonian fluids models have a shear-rate dependent viscosity. Examples of

non-Newtonian fluids include yogurt, paper pulp, and polymer suspensions. See
Non-Newtonian Flow: The Power Law and the Carreau Model in the CFD Module
User’s Guide.

Volume Force
The Volume Force node specifies the volume force F on the right-hand side of the
momentum equation.

∂u T 2
ρ + ρ ( u ⋅ ∇ )u = ∇ ⋅ – pI + μ ( ∇u + ( ∇u ) ) – --- μ ( ∇ ⋅ u )I + F
∂t 3

If several volume-force nodes are added to the same domain, then the sum of all
contributions are added to the momentum equation.

Initial Values
The initial values serve as initial conditions for a transient simulation or as an initial
guess for a nonlinear solver in a stationary simulation. Note that for a transient
compressible-flow simulation employing a material for which the density depends on
the pressure (such as air), discontinuities in the initial values trigger pressure waves
even when the Mach number is small. The pressure waves must be resolved and this
puts a restriction on the time step.

126 | CHAPTER 4: FLUID FLOW INTERFACE

IN IT IA L VA LUES
Initial values or expressions should be specified for the Velocity field u and the Pressure
p.

Wall
The Wall node includes a set of boundary conditions describing fluid-flow conditions
at stationary, moving, and leaking walls.

BOUNDARY CONDITION
Select a Boundary condition for the wall.

• No Slip • Slip Velocity

• Slip • Leaking Wall

No Slip
• No slip is the default boundary condition to model solid walls. A no slip wall is a wall
where the fluid velocity relative to the wall velocity is zero. For a stationary wall that
means that u = 0.

Slip
The Slip option prescribes a no-penetration condition, u·n=0. It is implicitly assumed
that there are no viscous effects at the slip wall and hence, no boundary layer develops.
From a modeling point of view, this can be a reasonable approximation if the main
effect of the wall is to prevent fluid from leaving the domain.

Slip Velocity
In the microscale range, the flow condition at a boundary is seldom strictly no slip or
slip. Instead, the boundary condition is something in between, and there is a Slip
velocity at the boundary. Two phenomena account for this velocity: noncontinuum
effects and the flow induced by a thermal gradient along the boundary.

When the Use viscous slip check box is selected, the default Slip length Ls is User defined.
Another value or expression may be entered if the default value is not applicable. For
Maxwell’s model values or expressions for the Tangential momentum accommodation
coefficient av and the Mean free path λ should be specified. Tangential accommodation
coefficients are typically in the range of 0.85 to 1.0 and can be found in G. Kariadakis,
A. Beskok, and N. Aluru, Microflows and Nanoflows, Springer Science and Business
Media, 2005.

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 When the Use thermal creep check box is selected, a thermal creep contribution with
Thermal slip coefficient σT is activated. Thermal slip coefficients are typically between
0.3 and 1.0 and can be found in G. Kariadakis, A. Beskok, and N. Aluru, Microflows
and Nanoflows, Springer Science and Business Media, 2005.

Leaking Wall
This boundary condition may be used to simulate a wall where fluid is leaking into or
leaving the domain with the velocity u = ul through a perforated wall. The
components of the Fluid velocity ul on the leaking wall should be specified.

WA LL M OVEM E NT
This section contains controls to describe the wall movement relative to the lab (or
spatial) frame.

The Translational velocity setting controls the translational wall velocity, utr. The list is
per default set to Automatic from frame. The physics automatically detects if the spatial
frame moves. This can for example happen if an ALE interface is present in the model
component. If there is no movement utr = 0. If the frame moves, utr becomes equal
to the frame movement. utr is accounted for in the actual boundary condition
prescribed in the Boundary condition section.

Select Manual from Translational velocity selection list in order to manually prescribe
Velocity of moving wall, utr. This can for example be used to model an oscillating wall
where the magnitude of the oscillations are very small compared to the rest of the
model. Specifying translational velocity manually does not automatically cause the
associated wall to move. An additional Moving Mesh interface needs to be added to
physically track the wall movement in the spatial reference frame.

The Sliding wall option is appropriate if the wall behaves like a conveyor belt; that is,
the surface is sliding in its tangential direction. A velocity is prescribed at the wall and
the boundary itself does not have to actually move relative to the reference frame.

• For 3D components, values or expressions for the Velocity of sliding wall uw should
be specified. If the velocity vector entered is not in the plane of the wall, COMSOL
Multiphysics projects it onto the tangential direction. Its magnitude is adjusted to
be the same as the magnitude of the vector entered.
• For 2D components, the tangential direction is unambiguously defined by the
direction of the boundary. For this reason, the sliding wall boundary condition has

128 | CHAPTER 4: FLUID FLOW INTERFACE

 different definitions in different space dimensions. A single entry for the Velocity of
the tangentially moving wall Uw should be specified in 2D.

CONSTRAINT SETTINGS
This section is displayed by clicking the Show button ( ) and selecting Advanced
Physics Options.

• Theory for the Wall Boundary Condition

• Moving Mesh Interface in the COMSOL Multiphysics Reference
Manual

Inlet
This condition should be used on boundaries for which there is a net flow into the
domain. To obtain a numerically well-posed problem, it is advisable to also consider
the Outlet conditions when specifying an Inlet condition. For example, if the pressure
is specified at the outlet, the velocity may be specified at the inlet, and vice versa.
Specifying the velocity vector at both the inlet and the outlet may cause convergence
difficulties.

BOUNDARY CONDITION
The available Boundary condition options for an inlet are Velocity, Laminar inflow, Mass
flow, and Pressure. After selecting a Boundary Condition from the list, a section with the
same or a similar name displays underneath. For example, if Velocity is selected, a
Velocity section, where further settings are defined, is displayed.

VE L O C I T Y
The Normal inflow velocity is specified as u = −nU0, where n is the boundary normal
pointing out of the domain and U0 is the normal inflow speed.

The Velocity field option sets the velocity vector to u = u0. The components of the inlet
velocity vector u0 should be defined for this choice.

PRESSURE CONDITIONS
This option specifies the normal stress, which in most cases is approximately equal to
the pressure. If the reference pressure pref, defined at the physics interface level, is

T H E S I N G L E - P H AS E F L OW, L A M I N AR F L O W I N T E R F A C E | 129
 equal to 0, the value of the Pressure p0, at the boundary, is the absolute pressure.
Otherwise, p0 is the relative pressure at the boundary.

• The Suppress backflow option adjusts the inlet pressure locally in order to prevent
fluid from exiting the domain through the boundary. If you clear the suppress
backflow option, the inlet boundary can become an outlet depending on the
pressure field in the rest of the domain.
• Flow direction controls in which direction the fluid enters the domain.
- For Normal flow, it prescribes zero tangential velocity component.
- For User defined, an Inflow velocity direction du (dimensionless) should be
specified. The magnitude of du does not matter, only the direction. du must
point into the domain.

LAMINAR INFLOW
This boundary condition is applicable when the fluid enters the domain from a long
pipe or channel, in which the laminar flow profile is fully developed. The normal stress
at the inlet is determined from the flow conditions at the entrance to a fictitious
channel of length Lentr appended to the boundary. The inflow can be specified by the
Average velocity Uav, the Flow rate V0, or the Entrance pressure pentr.

the Entrance pressure pentr The Entrance length Lentr should be significantly greater
than 0.06ReD, where Re is the Reynolds number and D is the inlet length scale
(hydraulic diameter), in order that the flow can adjust to a fully developed laminar
profile.

The Constrain outer edges to zero option forces the laminar profile to go to zero at the
bounding points or edges of the inlet channel. Otherwise the velocity is defined by the
boundary condition of the adjacent boundary in the computational domain. For
example, if one end of a boundary with a Laminar inflow condition connects to a slip
boundary, the laminar profile will have a maximum at that end.

MASS FLOW
The mass flow at an inlet can be specified by the Mass flow rate, the Pointwise mass flux,
the Standard flow rate, or the Standard flow rate (SCCM).

Mass Flow Rate

The Mass flow rate option sets the integrated mass flow across the entire boundary, the
Normal mass flow rate to a specific value, m. The mass flow is assumed to be parallel to
the boundary normal, and the tangential flow velocity is set to zero.

130 | CHAPTER 4: FLUID FLOW INTERFACE

For 2D components, the Channel thickness dbc is used to define the area across which
the mass flow occurs. This setting is not applied to the whole model. Line or surface
integrals of the mass flow over the boundary evaluated during postprocessing or used
in integration coupling operators do not include this scaling automatically. Such results
should be appropriately scaled when comparing them with the specified mass flow.

Pointwise Mass Flux

The Pointwise mass flux sets the mass flow parallel to the boundary normal. The
tangential flow velocity is set to zero. The mass flux is a model input, which means that
COMSOL Multiphysics can take its value from another physics interface when
available. When User defined is selected a value or function Mf should be specified for
the Mass flux.

Standard Flow Rate

The Standard flow rate Qsv sets a standard volumetric flow rate, according to the SEMI
standard E12-0303. The mass flow rate is specified as the volumetric flow rate of a gas
at standard density — the Mean molar mass Mn divided by a Standard molar volume Vm
(that is, the volume of one mole of a perfect gas at standard pressure and standard
temperature). The flow occurs across the whole boundary in the direction of the
boundary normal and is computed by a surface (3D) or line (2D) integral. The
tangential flow velocity is set to zero.

The standard density can be defined directly, or by specifying a standard pressure and
temperature, in which case the ideal gas law is assumed. The options in the
Standard flow rate defined by list are:

• Standard density, for which the Standard molar volume Vm should be specified.
• Standard pressure and temperature, for which the Standard pressure Pst and the
Standard temperature Tst should be defined.

For 2D components, the Channel thickness dbc is used to define the area across which
the mass flow occurs. This setting is not applied to the whole model. Line or surface
integrals of the mass flow over the boundary evaluated during postprocessing or used
in integration coupling operators do not include this scaling automatically. Such results
should be appropriately scaled when comparing them with the specified mass flow.

Standard Flow Rate (SCCM)

The Standard flow rate (SCCM) boundary condition is equivalent to the Standard flow
rate boundary condition, except that the flow rate is entered directly in SCCMs
(standard cubic centimeters per minute) without the requirement to specify units.
Here, the dimensionless Number of SCCM units Qsccm should be specified.

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 CONSTRAINT SETTINGS
This section is displayed by clicking the Show button ( ) and selecting Advanced
Physics Options.

• Prescribing Inlet and Outlet Conditions

• Normal Stress Boundary Condition

Outlet
This condition should be used on boundaries for which there is a net outflow from the
domain. To obtain a numerically well-posed problem, it is advisable to also consider
the Inlet conditions when specifying an Outlet condition. For example, if the velocity
is specified at the inlet, the pressure may be specified at the outlet, and vice versa.
Specifying the velocity vector at both the inlet and the outlet may cause convergence
difficulties. Selecting appropriate outlet conditions for the Navier-Stokes equations is
a nontrivial task. Generally, if there is something interesting happening at an outflow
boundary, the computational domain should be extended to include this
phenomenon.

BOUNDARY CONDITION
The available Boundary condition options for an outlet are Pressure, Laminar outflow,
and Velocity.

PRESSURE CONDITIONS
This option specifies the normal stress, which in most cases is approximately equal to
the pressure. The tangential stress component is set to zero. If the reference pressure
pref, defined at the physics interface level, is equal to 0, the value of the Pressure p0, at
the boundary, is the absolute pressure. Otherwise, p0 is the relative pressure at the
boundary.

• The Normal flow option changes the no tangential stress condition to a no tangential
velocity condition. This forces the flow to exit (or enter) the domain perpendicularly
to the outlet boundary.
• The Suppress backflow check box is selected by default. This option adjusts the outlet
pressure in order to prevent fluid from entering the domain through the boundary.

VE L O C I T Y
See the Inlet node Velocity section for the settings.

132 | CHAPTER 4: FLUID FLOW INTERFACE

LAMINAR OUTFLOW
This boundary condition is applicable when the flow exits the domain into a long pipe
or channel, at the end of which a laminar flow profile is fully developed. The normal
stress at the outlet is determined from the flow conditions at the end of a fictitious
channel appended to the outlet boundary. The outflow can be specified by the Average
velocity Uav, the Flow rate V0, or the Exit pressure pexit.

The Exit length Lexit should be significantly greater than 0.06ReD, where Re is the
Reynolds number, and D is the outlet length scale (hydraulic diameter), in order that
the flow can adjust to a fully developed laminar profile.

The Constrain outer edges to zero option forces the laminar profile to go to zero at the
bounding points or edges of the outlet channel. Otherwise, the velocity is defined by
the boundary condition of the adjacent boundary in the computational domain. For
example, if one end of a boundary with a Laminar outflow condition connects to a slip
boundary, the laminar profile will have a maximum at that end.

CONSTRAINT SETTINGS
This section is displayed by clicking the Show button ( ) and selecting Advanced
Physics Options.

Prescribing Inlet and Outlet Conditions

Symmetry
The Symmetry boundary condition prescribes no penetration and vanishing shear
stresses. The boundary condition is a combination of a Dirichlet condition and a
Neumann condition:

u ⋅ n = 0,  – pI +  μ ( ∇u + ( ∇u ) T ) – 2
--- μ ( ∇ ⋅ u )I  n = 0
  3 

u ⋅ n = 0, ( – pI + μ ( ∇u + ( ∇u ) T ) )n = 0

for the compressible and incompressible formulations. The Dirichlet condition takes
precedence over the Neumann condition, and the above equations are equivalent to
the following equation for both the compressible and incompressible formulations:

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 u ⋅ n = 0, K – ( K ⋅ n )n = 0
K = μ ( ∇u + ( ∇u ) T )n

BOUNDARY SELECTION
For 2D axial symmetry, a boundary condition does not need to be defined for the
symmetry axis at r = 0. The software automatically provides a condition that prescribes
ur = 0 and vanishing stresses in the z direction and adds an Axial Symmetry node that
implements these conditions on the axial symmetry boundaries only.

CONSTRAINT SETTINGS
This section is displayed by clicking the Show button ( ) and selecting Advanced
Physics Options.

Open Boundary
The Open Boundary condition describes boundaries in contact with a large volume of
fluid. Fluid can both enter and leave the domain on boundaries with this type of
condition.

BOUNDARY CONDITIONS
The Boundary condition options for open boundaries are Normal stress and No viscous
stress.

Normal Stress
The Normal stress f0 condition implicitly imposes p ≈ f 0 .

No Viscous Stress
The No Viscous Stress condition specifies vanishing viscous stress on the boundary. This
condition does not provide sufficient information to fully specify the flow at the open
boundary and must at least be combined with pressure constraints at adjacent points.

The No viscous stress condition prescribes:

 μ ( ∇u + ( ∇u ) T ) – 2
--- μ ( ∇ ⋅ u )I n = 0
 3 

μ ( ∇u + ( ∇u ) T )n = 0

for the compressible and the incompressible formulations. This condition can be useful
in some situations because it does not impose any constraint on the pressure. A typical
example is a model with volume forces that give rise to pressure gradients that are hard

134 | CHAPTER 4: FLUID FLOW INTERFACE

to prescribe in advance. To make the model numerically stable, this boundary
condition should be combined with a point constraint on the pressure.

Boundary Stress
The Boundary Stress node adds a boundary condition that represents a general class of
conditions also known as traction boundary conditions.

BOUNDARY CONDITION
The Boundary condition options for the boundary stress are General stress, Normal
stress, and Normal stress, normal flow.

General Stress
When General stress is selected, the components for the Stress F should be specified.
The total stress on the boundary is set equal to the given stress F:

 – pI +  μ ( ∇u + ( ∇u ) T ) – 2
--- μ ( ∇ ⋅ u )I  n = F
  3 

( – pI + μ ( ∇u + ( ∇u ) T ) )n = F

for the compressible and the incompressible formulations.

This boundary condition implicitly sets a constraint on the pressure that for 2D flows is

∂u n
p = 2μ ---------- – n ⋅ F (4-1)
∂n

If ∂un/∂n is small, Equation 4-1 states that p ≈ −n·F.

Normal Stress
Normal Stress is described for the Open Boundary node.

Normal Stress, Normal Flow

For Normal stress, normal flow, the magnitude of the Normal stress f0 should be
specified. The tangential velocity is set to zero on the boundary:

n  – pI +  μ ( ∇u + ( ∇u ) T ) – --- μ ( ∇ ⋅ u )I  n = – f 0 ,
T 2
t⋅u = 0
  3 

T
n ( – pI + μ ( ∇u + ( ∇u ) T ) )n = – f 0 , t⋅u = 0

for the compressible and the incompressible formulations.

T H E S I N G L E - P H AS E F L OW, L A M I N AR F L O W I N T E R F A C E | 135
 This boundary condition implicitly sets a constraint on the pressure that for 2D flows is

∂u n
p = 2μ ---------- + f 0 (4-2)
∂n

If ∂un/∂n is small, Equation 4-2 states that p ≈ f0.

CONSTRAINT SETTINGS
This section is displayed by clicking the Show button ( ) and selecting Advanced
Physics Options.

If Normal Stress, Normal Flow is selected as the Boundary condition, then to Apply
reaction terms on all dependent variables, the All physics (symmetric) option should be
selected. Alternatively, the Individual dependent variables could be selected to restrict
the reaction terms as needed.

Vacuum Pump
The Vacuum Pump node models the effective outlet pressure created by a vacuum pump
device that is attached to the outlet.

PARAMETERS
The Static pressure curve option defines a lumped curve—Linear, Static pressure curve
data, or User defined.

Linear
For the Linear option, values or expressions should be specified for the Static pressure
at no flow pnf and the Free delivery flow rate V0,fd.

The static pressure curve value is equal to the static pressure at no flow rate when
V0 < 0 and equal to 0 when the flow rate is larger than the free delivery flow rate.

Static Pressure Curve Data

The Static pressure curve data option can be used to enter or load data under the Static
Pressure Curve Data section below. The interpolation between points given in the Static
Pressure Curve Data table is defined using the Interpolation function type list in the Static
Pressure Curve Interpolation section.

User Defined
The User defined option can be used to enter a different value or expression. The flow
rate across the selection where this boundary condition is applied is defined by
phys_id.V0 where phys_id is the name (for example, phys_id is spf by default for

136 | CHAPTER 4: FLUID FLOW INTERFACE

this physics interface). In order to avoid unexpected behavior, the function used for
the fan curve is the maximum of the user-defined function and 0.

STATIC PRESSURE CUR VE DATA

This section displays when Static pressure curve data is selected as the Static pressure
curve. In the table, values or expressions for the Flow rate and Static pressure curve
should be specified. Alternatively, a text file can be imported by clicking the Load from
file button ( ) under the table.

UNITS
This section is available when Static pressure curve data is selected as the Static pressure
curve. Units can be specified here for the Flow rate and Static pressure curve.

STATIC PRESSURE CUR VE INTERPOLATION

This section is available when Static pressure curve data is selected as the Static pressure
curve. The available options for the Interpolation function type are Linear, Piecewise
cubic, and Cubic spline.

The extrapolation method always returns a constant value. In order to avoid problems
with undefined data, the function used for the boundary condition is the maximum of
the interpolated function and 0.

Vacuum Pump Boundary Condition

Periodic Flow Condition

The Periodic Flow Condition splits its selection into a source group and a destination
group. Fluid that leaves the domain through one of the destination boundaries enters
the domain through the corresponding source boundary. This corresponds to a
situation where the geometry is a periodic part of a larger geometry. If the boundaries
are not parallel to each other, the velocity vector is automatically transformed.

If the boundaries are curved, it is recommended to only include two boundaries.

No input is required when Compressible flow (Ma<0.3) is selected for Compressibility

under the Physical Model section for the physics interface. Typically when a periodic
boundary condition is used with a compressible flow, the pressure is the same at both
boundaries and the flow is driven by a volume force.

T H E S I N G L E - P H AS E F L OW, L A M I N AR F L O W I N T E R F A C E | 137
 PRESSURE DIFFERENCE
This section is available when Incompressible flow is selected for Compressibility under
the Physical Model section for the physics interface.

A value or expression should be specified for the Pressure difference, psrc − pdst. This
pressure difference can, for example, drive the fully developed flow in a channel.

To set up a periodic boundary condition, both boundaries must be selected in the

Periodic Flow Condition node. COMSOL Multiphysics automatically assigns one
boundary as the source and the other as the destination. To manually set the
destination selection, a Destination Selection subnode is available from the context
menu (by right-clicking the parent node) or from the Physics toolbar, Attributes menu.
All destination sides must be connected.

CONSTRAINT SETTINGS
This section is displayed by clicking the Show button ( ) and selecting Advanced
Physics Options.

ORIENTATION OF SOURCE
For information about the Orientation of Source section, see Orientation of Source and
Destination in the COMSOL Multiphysics Reference Manual.

Pipe Connection
This feature is available with a license for the Pipe Flow Module. For details, see Pipe
Connection the in the Pipe Flow Module User’s Guide.

Flow Continuity
The Flow Continuity condition is suitable for pairs where the boundaries match; it
prescribes that the flow field is continuous across the pair.

A Wall subnode is added by default and it applies to the parts of the pair boundaries
where a source boundary lacks a corresponding destination boundary and vice versa.
The Wall feature can be overridden by any other boundary condition that applies to
exterior boundaries. By right-clicking the Flow Continuity node, additional Fallback
feature subnodes can be added.

• Turbulent Flow, Algebraic yPlus

138 | CHAPTER 4: FLUID FLOW INTERFACE

STUDY
The Study section contains two down-list: Study type and Initial value from study. The
when Turbulence flow, k-ε or Turbulence flow, k-ω is selected, the Study type contains
two options:

• Stationary
• Time-dependent

The default value is Stationary. Otherwise, the Study type contains two options:

• Stationary with initialization

• Transient with initialization

The default value is Stationary with initialization. Note that the created new study only
solve for the new turbulence model.

Initial value from study contains a list of available study and None. If there is no study
available, the default option is None. If there are available studies, the first study will be
the default option.

Pressure Point Constraint

The Pressure Point Constraint condition can be used to specify the pressure level. If it
is not possible to specify the pressure level using a boundary condition, the pressure
level must be set in some other way, for example, by specifying a fixed pressure at a
point.

PRESSURE CONSTRAINT
The relative pressure value is set by specifying the Pressure p0. Or, if the reference
pressure pref defined at the physics interface level is equal to zero, p0 represents the
absolute pressure.

CONSTRAINT SETTINGS
This section is displayed by clicking the Show button ( ) and selecting Advanced
Physics Options.

T H E S I N G L E - P H AS E F L OW, L A M I N AR F L O W I N T E R F A C E | 139
 Point Mass Source
This feature requires at least one of the following licenses: Batteries & Fuel Cells
Module, CFD Module, Chemical Reaction Engineering Module, Corrosion Module,
Electrochemistry Module, Electrodeposition Module, Microfluidics Module, Pipe
Flow Module, or Subsurface Flow Module.

The Point Mass Source feature models mass flow originating from an infinitely small
domain centered around a point

For the Reacting Flow in Porous Media, Diluted Species interface, which is available
with the CFD Module, Chemical Reaction Engineering Module, or Batteries & Fuel
Cells Module, there are two nodes: one for the fluid flow (Fluid Point Source) and one
for the species (Species Point Source).

SOURCE STRENGTH
·
The source Mass flux, q p should be specified. A positive value results in mass being
ejected from the point into the computational domain. A negative value results in mass
being removed from the computational domain.

Point sources located on a boundary or on an edge affect the adjacent computational

domains. This has the effect, for example, that a point source located on a symmetry
plane has twice the given strength.

Mass Sources for Fluid Flow in the COMSOL Multiphysics Reference

Manual

Line Mass Source

This feature requires at least one of the following licenses: Batteries & Fuel Cells
Module, CFD Module, Chemical Reaction Engineering Module, Corrosion Module,
Electrochemistry Module, Electrodeposition Module, Microfluidics Module, Pipe
Flow Module, or Subsurface Flow Module.

The Line Mass Source feature models mass flow originating from a tube region with
infinitely small radius.

For the Reacting Flow in Porous Media, Diluted Species interface, which is available
with the CFD Module, Chemical Reaction Engineering Module, or Batteries & Fuel
Cells Module, there are two nodes, one for the fluid flow (Fluid Line Source) and one
for the species (Species Line Source).

140 | CHAPTER 4: FLUID FLOW INTERFACE

SELECTION
The Line Mass Source feature is available for all dimensions, but the applicable selection
differs between the dimensions.

MODEL DIMENSION APPLICABLE GEOMETRICAL ENTITY

2D Points
2D Axisymmetry Points not on the axis of symmetry
3D Edges

SOURCE STRENGTH
·
The source Mass flux, q l , should be specified. A positive value results in mass being
ejected from the line into the computational domain and a negative value means that
mass is removed from the computational domain.

Line sources located on a boundary affect the adjacent computational domains. This,
for example, has the effect that a line source located on a symmetry plane has twice the
given strength.

Mass Sources for Fluid Flow in the COMSOL Multiphysics Reference

Manual

Gravity
This feature requires at least one of the following licenses: CFD Module, Heat Transfer
Module.

The Gravity global feature is automatically added when Include gravity is selected at the
interface level in the Physical Model settings. It defines the gravity forces from the
Acceleration of gravity value.

ACCELERATION OF GRAVITY
The Acceleration of gravity (SI unit m/s, default value -gconstez in 2Daxi and 3D and
-gconstey in 2D) is used to define the gravity forces. It should be a global quantity.

T H E S I N G L E - P H AS E F L OW, L A M I N AR F L O W I N T E R F A C E | 141
 Theory for the Single-Phase Flow
Laminar Interface
The theory for the Single-Phase Flow, Laminar Flow interface is described in this
section:

• General Single-Phase Flow Theory

• Compressible Flow
• Weakly Compressible Flow
• The Mach Number Limit
• Incompressible Flow
• The Reynolds Number
• The Boussinesq Approximation
• Theory for the Wall Boundary Condition
• Prescribing Inlet and Outlet Conditions
• Laminar Inflow
• Laminar Outflow
• Mass Flow
• No Viscous Stress
• Normal Stress Boundary Condition
• Vacuum Pump Boundary Condition
• Mass Sources for Fluid Flow
• Numerical Stability — Stabilization Techniques for Fluid Flow
• Solvers for Laminar Flow
• Pseudo Time Stepping for Laminar Flow Models
• Discontinuous Galerkin Formulation
• Particle Tracing in Fluid Flow
• References for the Single-Phase Flow, Laminar Flow Interfaces

The theory about most boundary conditions is found in Ref. 2.

142 | CHAPTER 4: FLUID FLOW INTERFACE

General Single-Phase Flow Theory
The Single-Phase Fluid Flow interfaces are based on the Navier-Stokes equations,
which in their most general form read

∂ρ
------ + ∇ ⋅ ( ρu ) = 0 (4-3)
∂t

∂u
ρ ------- + ρ ( u ⋅ ∇ )u = ∇ ⋅ [ – pI + τ ] + F (4-4)
∂t

∂T T ∂ρ ∂p
ρC p  ------- + ( u ⋅ ∇ )T = – ( ∇ ⋅ q ) + τ:S – ---- -------  ------ + ( u ⋅ ∇ )p + Q (4-5)
 ∂t  ρ ∂T p  ∂t 

where

• ρ is the density (SI unit: kg/m3)

• u is the velocity vector (SI unit: m/s)
• p is pressure (SI unit: Pa)
• τ is the viscous stress tensor (SI unit: Pa)
• F is the volume force vector (SI unit: N/m3)
• Cp is the specific heat capacity at constant pressure (SI unit: J/(kg·K))
• T is the absolute temperature (SI unit: K)
• q is the heat flux vector (SI unit: W/m2)
• Q contains the heat sources (SI unit: W/m3)
• S is the strain-rate tensor:

1
S = --- ( ∇u + ( ∇u ) T )
2

The operation “:” denotes a contraction between tensors defined by

a:b =   anm bnm (4-6)

n m

This is sometimes referred to as the double dot product.

Equation 4-3 is the continuity equation and represents conservation of mass.

Equation 4-4 is a vector equation which represents conservation of momentum.
Equation 4-5 describes the conservation of energy, formulated in terms of

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 143

 temperature. This is an intuitive formulation that facilitates boundary condition
specifications.

To close the equation system, Equation 4-3 through Equation 4-5, constitutive
relations are needed. For a Newtonian fluid, which has a linear relationship between
stress and strain, Stokes (Ref. 1) deduced the following expression:

2
τ = 2μS – --- μ ( ∇ ⋅ u )I (4-7)
3

The dynamic viscosity, μ (SI unit: Pa·s), for a Newtonian fluid is allowed to depend on
the thermodynamic state but not on the velocity field. All gases and many liquids can
be considered Newtonian. Examples of non-Newtonian fluids are honey, mud, blood,
liquid metals, and most polymer solutions. The Heat Transfer Module treats all fluids
as Newtonian according to Equation 4-7.Other commonly used constitutive relations
are Fourier’s law of heat conduction and the ideal gas law.

In theory, the same equations describe both laminar and turbulent flows. In practice,
however, the mesh resolution required to simulate turbulence with the Laminar Flow
interface makes such an approach impractical.

There are several books where derivations of the Navier-Stokes equations

and detailed explanations of concepts such as Newtonian fluids can be
found. See, for example, the classical text by Batchelor (Ref. 3) and the
more recent work by Panton (Ref. 4).

Many applications describe isothermal flows for which Equation 4-5 is decoupled from
Equation 4-3 and Equation 4-4.

2D AXISYMMETRIC FORMULATIONS
A 2D axisymmetric formulation of Equation 4-3 and Equation 4-4 requires ∂ ⁄ ∂φ to
be zero. That is, there must be no gradients in the azimuthal direction. A common
additional assumption is however that uφ=0. In such cases, the φ -equation can be
removed from Equation 4-4. The resulting system of equations is both easier to
converge and computationally less expensive compared to retaining the φ -equation.
The default 2D axisymmetric formulation of Equation 4-3 and Equation 4-4 therefore
assumes that

∂ ⁄ ∂φ = 0
uφ = 0

144 | CHAPTER 4: FLUID FLOW INTERFACE

Compressible Flow
The equations of motion for a single-phase fluid are the continuity equation:

∂ρ
------ + ∇ ⋅ ( ρu ) = 0 (4-8)
∂t

and the momentum equation:

∂u
ρ ------- + ρu ⋅ ∇u = – ∇p + ∇ ⋅  μ ( ∇u + ( ∇u ) T ) – --- μ ( ∇ ⋅ u )I + F
2
(4-9)
∂t  3 

These equations are applicable for incompressible as well as for compressible flow with
density and viscosity variations.

Weakly Compressible Flow

The same equations as for Compressible Flow are applied for weakly compressible flow.
The only difference is that the density is evaluated at the reference pressure. The
density may be a function of other quantities, in particular it may be temperature
dependent.

The weakly compressible flow equations are valid for incompressible as well as
compressible flow with density variations independent of the pressure.

The Mach Number Limit

An important dimensionless number in fluid dynamics is the Mach number, Ma,
defined by

u
Ma = -------
a

where a is the speed of sound. A flow is formally incompressible when Ma = 0. This is

theoretically achieved by letting the speed of sound tend to infinity. The Navier-Stokes
equations then have the mathematical property that pressure disturbances are
instantaneously propagated throughout the entire domain. This results in a parabolic
equation system.

The momentum equation, Equation 4-9, is parabolic for unsteady flow and elliptic for
steady flow, whereas the continuity equation, Equation 4-8, is hyperbolic for both
steady and unsteady flow. The combined system of equations is thus hybrid
parabolic-hyperbolic for unsteady flow and hybrid elliptic-hyperbolic for steady flow.

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 145

 An exception occurs when the viscous term in Equation 4-9 becomes vanishingly
small, such as at an outflow boundary, in which case the momentum equation becomes
locally hyperbolic. The number of boundary conditions to apply on the boundary then
depends on the number of characteristics propagating into the computational domain.
For the purely hyperbolic system, the number of characteristics propagating from the
boundary into the domain changes as the Mach number passes through unity. Hence,
the number of boundary conditions required to obtain a numerically well-posed
system must also change. The compressible formulation of the laminar and turbulent
interfaces uses the same boundary conditions as the incompressible formulation, which
implies that the compressible interfaces are not suitable for flows with a Mach number
larger than or equal to one.

The practical Mach number limit is lower than one, however. The main reason is that
the numerical scheme (stabilization and boundary conditions) of the Laminar Flow
interface does not recognize the direction and speed of pressure waves. The fully
compressible Navier-Stokes equations do, for example, start to display very sharp
gradients already at moderate Mach numbers. But the stabilization for the single-phase
flow interface does not necessarily capture these gradients. It is impossible to give an
exact limit where the low Mach number regime ends and the moderate Mach number
regime begins, but a rule of thumb is that the Mach number effects start to appear at
Ma = 0.3. For this reason, the compressible formulation is referred to as Compressible
flow (Ma<0.3) in COMSOL Multiphysics.

Incompressible Flow
When the temperature variations in the flow are small, a single-phase fluid can often
be assumed incompressible; that is, ρ is constant or nearly constant. This is the case for
all liquids under normal conditions and also for gases at low velocities. For constant ρ,
Equation 4-8 reduces to

ρ∇ ⋅ u = 0 (4-10)

and Equation 4-9 becomes

∂u T
ρ + ρ ( u ⋅ ∇ )u = ∇ ⋅ [ – pI + μ ( ∇u + ( ∇u ) ) ] + F (4-11)
∂t

In order to apply the incompressible flow formulation, the density is evaluated at the
reference pressure level, and both the density and viscosity are evaluated at the
reference temperature. However, if the density is a function of other quantities such as

146 | CHAPTER 4: FLUID FLOW INTERFACE

a concentration field, the user has to make sure that the density is defined as constant
when the incompressible flow formulation is used.

The Reynolds Number

A fundamental characteristic in analyses of fluid flow is the Reynolds number:

ρUL
Re = ------------
μ

where U denotes a velocity scale, and L denotes a representative length. The Reynolds
number represents the ratio between inertial and viscous forces. At low Reynolds
numbers, viscous forces dominate and tend to damp out all disturbances, which leads
to laminar flow. At high Reynolds numbers, the damping in the system is very low,
giving small disturbances the possibility to grow by nonlinear interactions. If the
Reynolds number is high enough, the flow field eventually ends up in a chaotic state
called turbulence.

Observe that the Reynolds number can have different meanings depending on the
length scale and velocity scale. To be able to compare two Reynolds numbers, they
must be based on equivalent length and velocity scales.

The Fluid Flow interfaces automatically calculate the local cell Reynolds number
Rec = ρ|u|h/(2μ) using the element length h for L and the magnitude of the velocity
vector u for the velocity scale U. This Reynolds number is not related to the character
of the flow field, but to the stability of the numerical discretization. The risk for
numerical oscillations in the solution increases as Rec grows. The cell Reynolds
number is a predefined quantity available for visualization and evaluation (typically it
is available as: spf.cellRe).

The Boussinesq Approximation

The Boussinesq approximation is a way to treat certain simple cases of buoyant flow
without having to use the compressible formulation of the Navier-Stokes equations.

The Boussinesq approximation assumes that variations in density have no effect on the
flow field except that they give rise to a buoyancy force. The density is assigned a
reference value, ρ0, everywhere except in the volume force term, which is set to

F = ( ρ 0 + Δρ )g (4-12)

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 147

 where g is the gravity vector. A further simplification is often possible. Because g can
be written in terms of a potential, Φ, Equation 4-12 can be written as:

F = – ∇ ( ρ 0 Φ ) + Δρg

The first part can be canceled out by splitting the true pressure, p, into a hydrodynamic
component, P, and a hydrostatic component, −ρ0Φ. Equation 4-10 and
Equation 4-11 are expressed in terms of the hydrodynamic pressure P = p + ρ0Φ:

ρ∇ ⋅ u = 0 (4-13)

∂u
ρ 0 ------- + ( ρ 0 u ⋅ ∇ )u = – ∇P + ∇ ⋅ ( μ ( ∇u + ( ∇u ) T ) ) + g Δρ (4-14)
∂t

To obtain the Boussinesq approximation on this form, the flow must be defined as
Incompressible with the Include gravity and Use reduced pressure options selected in the
flow interface, and the Nonisothermal Flow multiphysics feature should be used to
coupled the heat transfer and fluid flow interfaces.

In practice, the shift from p to P can be ignored except where the pressure appears in
boundary conditions. The pressure that is specified at boundaries is the reduced
pressure in this case. For example, at a vertical outflow or inflow boundary, the reduced
pressure is typically a constant, whereas the true pressure is a function of the vertical
coordinate.

The system formed by Equation 4-13 and Equation 4-14 has its limitations. The main
assumption is that the density fluctuations must be small; that is, Δρ/ρ0 << 1. There are
also some more subtle constraints that, for example, make the Boussinesq
approximation unsuitable for systems of very large dimensions. An excellent discussion
of the Boussinesq approximation and its limitations appears in Chapter 14 of Ref. 10.

Theory for the Wall Boundary Condition

See Wall for the node settings.

SLIP
The Slip condition assumes that there are no viscous effects at the slip wall and hence,
no boundary layer develops. From a modeling point of view, this is a reasonable
approximation if the important effect of the wall is to prevent fluid from leaving the
domain. Mathematically, the constraint can be formulated as:

u ⋅ n = 0, ( – pI + μ ( ∇u + ( ∇u ) T ) )n = 0

148 | CHAPTER 4: FLUID FLOW INTERFACE

The no-penetration term takes precedence over the Neumann part of the condition
and the above expression is therefore equivalent to

u ⋅ n = 0, K – ( K ⋅ n )n = 0
K = μ ( ∇u + ( ∇u ) T )n

expressing that there is no flow across the boundary and no viscous stress in the
tangential direction.

For a moving wall with translational velocity utr, u in the above equations is replaced
by the relative velocity urel = u−utr.

SLI D I NG WA LL
The sliding wall option is appropriate if the wall behaves like a conveyor belt; that is,
the surface is sliding in its tangential direction. The wall does not have to actually move
in the coordinate system.

• In 2D, the tangential direction is unambiguously defined by the direction of the

boundary, but the situation becomes more complicated in 3D. For this reason, this
boundary condition has slightly different definitions in the different space
dimensions.
• For 2D and 2D axisymmetric components, the velocity is given as a scalar Uw and
the condition prescribes
u ⋅ n = 0, u ⋅ t = Uw

where t = (ny, −nx) for 2D and t = (nz, −nr) for axial symmetry.
• For 3D components, the velocity is set equal to a given vector uw projected onto
the boundary plane:
u w – ( n ⋅ u w )n
u = -------------------------------------------- u w
u w – ( n ⋅ u w )n

The normalization makes u have the same magnitude as uw even if uw is not exactly
parallel to the wall.

S L I P VE L O C I T Y
In the microscale range, the flow at a boundary is seldom strictly no slip or slip.
Instead, the boundary condition is something in between, and there is a slip velocity
at the boundary. Two phenomena account for this velocity: violation of the continuum
hypothesis for the viscosity and flow induced by a thermal gradient along the
boundary.

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 149

 The following equation relates the viscosity-induced jump in tangential velocity to the
tangential shear stress along the boundary:

1
Δu = --- τ n, t
β

For gaseous fluids, the coefficient β is given by

μ
β = -------------------------
2 – α v
 --------------- λ
 αv 

where μ is the fluid’s dynamic viscosity (SI unit: Pa·s), αv represents the tangential
momentum accommodation coefficient (TMAC) (dimensionless), and λ is the
molecules’ mean free path (SI unit: m). The tangential accommodation coefficients are
typically in the range of 0.85 to 1.0 and can be found in Ref. 15.

A simpler expression for β is

μ
β = ------
Ls

where Ls, the slip length (SI unit: m), is a straight channel measure of the distance
from the boundary to the virtual point outside the flow domain where the flow profile
extrapolates to zero. This equation holds for both liquids and gases.

Thermal creep results from a temperature gradient along the boundary. The following
equation relates the thermally-induced jump in tangential velocity to the tangential
gradient of the natural logarithm of the temperature along the boundary:

μ
Δu = σ T --- ∇ t log T
ρ

where σT is the thermal slip coefficient (dimensionless) and ρ is the density of the fluid.
The thermal slip coefficients range between 0.3 and 1.0 and can be found in Ref. 15.

Combining the previous relationships results in the following equation:

Ls μ
u – u w, t = ------ τ n, t + σ T ------- ∇ t T
μ ρT

Relate the tangential shear stress to the viscous boundary force by

τ n, t = K – ( n ⋅ K )n

150 | CHAPTER 4: FLUID FLOW INTERFACE

where the components of K are the Lagrange multipliers that are used to implement
the boundary condition. Similarly, the tangential temperature gradient results from the
difference of the gradient and its normal projection:

∇ t T = ∇T – ( n ⋅ ∇T )n

Use Viscous Slip

When viscous slip is used, select Maxwell’s model to calculate Ls using:

2 – αv
L s =  --------------- λ
 αv 

Also see Wall for the node settings.

Prescribing Inlet and Outlet Conditions

The Navier-Stokes equations can show large variations in mathematical behavior,
ranging from almost completely elliptic to almost completely hyperbolic. This has
implications when it comes to prescribing admissible boundary conditions. There is
also a discrepancy between mathematically valid boundary conditions and practically
useful boundary conditions. See Inlet and Outlet for the node settings.

INLET CONDITIONS
An inlet requires specification of the velocity components. The most robust way to do
this is to prescribe a velocity field using a Velocity condition.

A common alternative to prescribing the complete velocity field is to prescribe a

pressure and all but one velocity component. The pressure cannot be specified
pointwise because this is mathematically over-constraining. Instead the pressure can be
specified via a stress condition:

∂u n
– p + 2μ --------- = F n (4-15)
∂n

where ∂un/∂n is the normal derivative of the normal velocity component.

Equation 4-15 is prescribed by the Pressure condition in the Inlet and Outlet features
and the Normal stress condition in the Open Boundary and Boundary Stress features.
Equation 4-15 is mathematically more stringent compared to specifying the pressure
pointwise and at the same time cannot guarantee that p obtains the desired value. In
practice, p is close to Fn, except for low Reynolds number flows where viscous effects
are the only effects that balance the pressure. In addition to Equation 4-15, all but one

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 151

 velocity component must be specified. For low Reynolds numbers, this can be specified
by a vanishing tangential stress condition:

∂u t
μ -------- = 0
∂n

which is what the Normal stress condition does. Vanishing tangential stress becomes a
less well-posed inlet condition as the Reynolds number increases. The Pressure
condition in the Inlet feature therefore requires a flow direction to be prescribed,
which provides a well-posed condition independent of Reynolds number.

OUTLET CONDITIONS
The most common approach is to prescribe a pressure via a normal stress condition on
the outlet. This is often accompanied by a vanishing tangential stress condition:

∂u t
μ -------- = 0
∂n

where ∂ut/∂n is the normal derivative of the tangential velocity field. It is also possible
to prescribe ut to be zero. The latter option should be used with care since it can have
a significant effect on the upstream solution.

The elliptic character of the Navier-Stokes equations mathematically permit specifying

a complete velocity field at an outlet. This can, however, be difficult to apply in
practice. The reason being that it is hard to prescribe the outlet velocity so that it is
consistent with the interior solution at each point. The adjustment to the specified
velocity then occurs across an outlet boundary layer. The thickness of this boundary
layer depends on the Reynolds number; the higher the Reynolds number, the thinner
the boundary layer.

ALTERNATIVE FORMULATIONS
COMSOL provides several specialized boundary conditions that either provide
detailed control over the flow at the boundary or that simulate specific devices. In
practice they often prescribe a velocity or a pressure, but calculate the prescribed values
using for example ODEs.

Normal Stress Boundary Condition

152 | CHAPTER 4: FLUID FLOW INTERFACE

Laminar Inflow
In order to prescribe a fully developed inlet velocity profile, this boundary condition
adds a weak form contribution and constraints corresponding to unidirectional flow
perpendicular to the boundary. The applied condition corresponds to the situation
shown in Figure 4-1: a fictitious domain of length Lentr is assumed to be attached to
the inlet of the computational domain. The domain is an extrusion of the inlet
boundary, which means that laminar inflow requires the inlet to be flat. The boundary
condition uses the assumption that the flow in this fictitious domain is fully developed
laminar flow. The “wall” boundary conditions for the fictitious domain is inherited
from the real domain, Ω, unless the option to constrain outer edges or endpoints to
zero is selected in which case the fictitious “walls” are no-slip walls.

pentr Ω

Lentr

Figure 4-1: An example of the physical situation simulated when using the Laminar
inflow boundary condition. Ω is the actual computational domain while the dashed
domain is a fictitious domain.

If an average inlet velocity or inlet volume flow is specified instead of the pressure,
COMSOL Multiphysics adds an ODE that calculates a pressure, pentr, such that the
desired inlet velocity or volume flow is obtained.

Laminar Outflow
In order to prescribe an outlet velocity profile, this boundary condition adds a weak
form contribution and constraints corresponding to unidirectional flow perpendicular
to the boundary. The applied condition corresponds to the situation shown in
Figure 4-2: assume that a fictitious domain of length Lexit is attached to the outlet of
the computational domain. The domain is an extrusion of the outlet boundary, which
means that laminar outflow requires the outlet to be flat. The boundary condition uses
the assumption that the flow in this fictitious domain is fully developed laminar flow.
The “wall” boundary conditions for the fictitious domain is inherited from the real

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 153

 domain, Ω, unless the option to constrain outer edges or endpoints to zero is selected
in which case the fictitious “walls” are no-slip walls.

Ω pexit

Lexit

Figure 4-2: An example of the physical situation simulated when using the Laminar
outflow boundary condition. Ω is the actual computational domain while the dashed
domain is a fictitious domain.

If the average outlet velocity or outlet volume flow is specified instead of the pressure,
the software adds an ODE that calculates pexit such that the desired outlet velocity or
volume flow is obtained.

Mass Flow
The Mass Flow boundary condition constrains the mass flowing into the domain across
an inlet boundary. The mass flow can be specified in a number of ways.

POINTWISE MASS FLUX

The pointwise mass flux sets the velocity at the boundary to:

mf
u = – ------- n
ρ

where mf is the normal mass flux and ρ is the density.

MASS FLOW RATE

The mass flow rate boundary condition sets the total mass flow through the boundary
according to:

–  dbc ρ ( u ⋅ n ) dS = m
∂Ω

where dbc (only present in the 2D Cartesian axis system) is the boundary thickness
normal to the fluid-flow domain and m is the total mass flow rate.

In addition to the constraint on the total flow across the boundary, the tangential
velocity components are set to zero on the boundary

154 | CHAPTER 4: FLUID FLOW INTERFACE

 u×n = 0 (4-16)

STANDARD FLOW RATE

The standard flow rate boundary condition specifies the mass flow as a standard
volumetric flow rate. The mass flow through the boundary is set by the equation:

ρ
–  dbc -------
ρ st
( u ⋅ n ) dS = Q sv
∂Ω

where dbc (only present in the 2D component Cartesian axis system) is the boundary
thickness normal to the fluid-flow domain, ρst is the standard density, and Qsv is the
standard flow rate. The standard density is defined by one of the following equations:

Mn
ρ st = --------
Vn

p st M n
ρ st = -----------------
RT st

where Mn is the mean molar mass of the fluid, Vn is the standard molar volume, pst is
the standard pressure, R is the universal molar gas constant, and Tst is the standard
temperature.

Equation 4-16 or Equation 4-17 is also enforced for compressible and incompressible
flow, respectively, ensuring that the normal component of the viscous stress and the
tangential component of the velocity are zero at the boundary.

No Viscous Stress
For this module, and in addition to the Pressure, No Viscous Stress boundary
condition, the viscous stress condition sets the viscous stress to zero:

 μ ( ∇u + ( ∇u ) T ) – 2
--- μ ( ∇ ⋅ u )I n = 0
 3 

( μ ( ∇u + ( ∇u ) T ) )n = 0

using the compressible/weakly compressible and the incompressible formulation,

respectively.

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 155

 The condition is not a sufficient outlet condition since it lacks information about the
outlet pressure. It must hence be combined with pressure point constraints on one or
several points or lines surrounding the outlet.

This boundary condition is numerically the least stable outlet condition, but can still
be beneficial if the outlet pressure is nonconstant due to, for example, a nonlinear
volume force.

Normal Stress Boundary Condition

The total stress on the boundary is set equal to a stress vector of magnitude f0, oriented
in the negative normal direction:

 – pI +  μ ( ∇u + ( ∇u ) T ) – 2
--- μ ( ∇ ⋅ u )I  n = – f 0 n
  3 

( – pI + μ ( ∇u + ( ∇u ) T ) )n = – f 0 n

using the compressible/weakly compressible and the incompressible formulation,

respectively.

This implies that the total stress in the tangential direction is zero. This boundary
condition implicitly sets a constraint on the pressure which for 2D flows is

∂u n
p = 2μ ---------- + f 0 (4-17)
∂n

If ∂un/∂n is small, Equation 4-17 states that p ≈ f0.

The Normal Stress condition is the mathematically correct version of the Pressure
Conditions condition (Ref. 4), but it is numerically less stable.

Pressure Boundary Condition

For single-phase flow, a mathematically correct natural boundary condition for outlets
is

 – pI + μ ( ∇u + ( ∇u ) T ) – 2
--- μ ( ∇ ⋅ u )I n = – p 0 n (4-18)
 3 

( – pI + μ ( ∇u + ( ∇u ) T ) )n = – p 0 n (4-19)

156 | CHAPTER 4: FLUID FLOW INTERFACE

using the compressible/weakly compressible and the incompressible formulation,
respectively.

This is a normal stress condition together with a no-tangential-stress condition. When

μ > 0, Equation 4-18 or Equation 4-19 can be supplemented with a tangential velocity
condition

u⋅t = 0 (4-20)

If so, the no-tangential-stress condition is overridden. An issue with Equation 4-18 or

Equation 4-19 is that it does not strongly enforce unidirectional flow on the boundary.
If the prescribed pressure on an outlet is too high, parts of the outlet can actually have
inflow. This is not as much of an issue for the Navier-Stokes equations as it is an issue
for scalar transport equations solved along with the Navier-Stokes equations. Hence,
when applying the Pressure boundary condition at an outlet or inlet you can further
constrain the flow. With the Suppress backflow option

--- μ ( ∇ ⋅ u )I n = – pˆ 0 n
 – pI + μ ( ∇u + ( ∇u ) T ) – 2
 3 
, (4-21)
( – pI + μ ( ∇u + ( ∇u ) T ) )n = – pˆ 0 n
pˆ ≤ p
0 0

the normal stress is adjusted to keep

u⋅n≥0 (4-22)

Equation 4-21 effectively means that the prescribed pressure is p0 if u⋅n ≥ 0, but
smaller at locations where u⋅n < 0. This means that Equation 4-21 does not completely
prevent backflow, but the backflow is substantially reduced. Backflow is suppressed
also when external forces are acting on the fluid, provided the magnitude of these
forces are of the same order as the dynamic pressure at the outlet.

A pressure condition can also be applied at an inlet. In this case, either the normal stress
is prescribed

n  – pI + μ ( ∇u + ( ∇u ) T ) – --- μ ( ∇ ⋅ u )I n = – pˆ 0
T 2
 3 
(4-23)
n ( – pI + μ ( ∇u + ( ∇u ) T ) )n = – pˆ 0
T

pˆ ≥ p
0 0

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 157

 together with the tangential condition in Equation 4-20, or, a general flow direction
is prescribed.

--- μ ( ∇ ⋅ u )I n = – pˆ 0 ( r ⋅ n )
T  – pI + μ ( ∇u + ( ∇u ) T ) – 2
ru
 3  u
T ( – pI + μ ( ∇u + ( ∇u ) T ) )n = – p
ru ˆ (r ⋅ n)
0 u
(4-24)
pˆ ≥ p
0 0
du
u – ( u ⋅ r u )r u = 0, r u = -------------
du

The “>” option is used with suppress backflow to have u ⋅ n ≤ 0 or u ⋅ r u ≥ 0 .

See Inlet, Outlet, Open Boundary, and No Viscous Stress for the individual node
settings. Note that some modules have additional theory sections describing options
available with that module.

Vacuum Pump Boundary Condition

Vacuum pumps (devices) can be represented using lumped curves implemented as
boundary conditions. These simplifications also imply some assumptions. In particular,
it is assumed that a given boundary can only be either an inlet or an outlet. Such a
boundary should not be a mix of inlets/outlets nor switch between them during a
simulation.

Manufacturers usually provide curves that describe the static pressure as a function of
flow rate for a vacuum pump. Also see Vacuum Pump for the node settings.

DEFINING A DEVICE AT AN OUTLET

In this case (see Figure 4-3), the device’s inlet is the interior face situated between the
blue (cube) and green (circle) domains while its outlet is an external boundary, here
the circular boundary of the green domain. The lumped curve gives the flow rate as a
function of the pressure difference between the interior face and the external
boundary. This boundary condition implementation follows the Pressure Boundary
Condition for outlets with the Suppress backflow option:

--- μ ( ∇ ⋅ u )I n = – pˆ 0 n
 – pI + μ ( ∇u + ( ∇u ) T ) – 2
 3  (4-25)
pˆ 0 ≤ p vacuum pump ( V 0 ) – p ref

158 | CHAPTER 4: FLUID FLOW INTERFACE

Here, V0 is the flow rate across the boundary and pvacuum pump(V0) is the static
pressure function of flow rate for the vacuum pump. pref is the reference pressure that
ensure that the absolute pressure is set to pvacuum pump. In vacuum pump models the
reference pressure may be set to 0 Pa since the absolute pressure is close to 0 Pa by
opposition to ambient conditions where pref is often set to 1 atm. Equation 4-25
corresponds to the compressible formulation. For incompressible flows, the term
−(2/3)μ(∇ ⋅ u) vanishes. In 2D the thickness in the third direction, Dz, is used to define
the flow rate. Vacuum pumps are modeled as rectangles in this case.

Figure 4-3: A vacuum pump at the outlet. The arrow represents the flow direction, the
green circle represents the vacuum pump (that should not be part of the model), and the
blue cube represents the modeled domain with an outlet boundary condition described by
a lumped curve for the attached vacuum pump.

and In 2D the thickness in the third direction, Dz, is used to define the flow rate. Fans
are modeled as rectangles in this case.

Mass Sources for Fluid Flow

There are two types of mass sources in a Single-Phase Flow interface: point sources and
line sources.

These features require at least one of the following licenses: Batteries &
Fuel Cells Module, CFD Module, Chemical Reaction Engineering
Module, Corrosion Module, Electrochemistry Module,
Electrodeposition Module, Microfluidics Module, Pipe Flow Module, or
Subsurface Flow Module.

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 159

 POINT SOURCE
·
A point source is theoretically formed by taking a mass injection/ejection, Q (SI unit:
3
kg/(m ·s)), in a small volume δV and then letting the size of the volume tend to zero
·
while keeping the total mass flux constant. Given a point source strength, q p (SI unit:
kg/s), this can be expressed as

· ·
lim
δV → 0  Q = qp (4-26)
δV

An alternative way to form a point source/sink is to assume that mass is

injected/extracted through the surface of a small object. Letting the object surface
area tend to zero while keeping the mass flux constant, results in the same point source.
For this alternative approach, effects resulting from the physical object volume, such
as drag and fluid displacement, need to be neglected.

The weak contribution

q· p test ( p )
·
is added to a point in the geometry. As can be seen from Equation 4-26, Q must tend
to plus or minus infinity as δV tends to zero. This means that in theory the pressure
also tends to plus or minus infinity.

Observe that “point” refers to the physical representation of the source. A point source
can therefore only be added to points in 3D components and to points on the
symmetry axis in 2D axisymmetry components. Other geometrical points in 2D
components represent physical lines.

The finite element representation of Equation 4-26 corresponds to a finite pressure in

a point with the effect of the point source spread out over a region around the point.
The size of the region depends on the mesh and on the strength of the source. A finer
mesh gives a smaller affected region, but also a more extreme pressure value. It is
important not to mesh too finely around a point source since the resulting pressure can
result in unphysical values for the density, for example. It can also have a negative effect
on the condition number for the equation system.

LINE SOURCE
·
A line source can theoretically be formed by assuming a source of strength Q (SI unit:
3
kg/(m ·s)), located within a tube with cross-sectional area δS and then letting δS tend
to zero, while keeping the total mass flux per unit length constant. Given a line source
·
strength, q l (SI unit: kg/(m·s)), this can be expressed as

160 | CHAPTER 4: FLUID FLOW INTERFACE

 ·
lim Q = q· l (4-27)
δS → 0
δS

As in the point source case, an alternative approach is to assume that mass is

injected/extracted through the surface of a small object. This results in the same mass
source, but requires that effects on the fluid resulting from the physical object volume
are neglected.

The weak contribution

q· l test ( p )

is added to lines in 3D or to points in 2D (which represent cut-through views of lines).

Line sources can also be added to the axisymmetry line in 2D axisymmetry
components. It cannot, however, be added to geometrical lines in 2D because they
represent physical planes.

As with a point source, it is important not to mesh too finely around the line source.

For feature node information, see Line Mass Source and Point Mass
Source in the COMSOL Multiphysics Reference Manual.

For the Reacting Flow in Porous Media, Diluted Species interface, which
is available with the CFD Module, Chemical Reaction Engineering
Module, or Batteries & Fuel Cells Module, these shared physics nodes are
renamed as follows:

• The Line Mass Source node is available as two nodes, one for the fluid
flow (Fluid Line Source) and one for the species (Species Line Source).
• The Point Mass Source node is available as two nodes, one for the fluid
flow (Fluid Point Source) and one for the species (Species Point Source).

Numerical Stability — Stabilization Techniques for Fluid Flow

The momentum equation (Equation 4-9 or Equation 4-11) is a (nonlinear)
convection-diffusion equation. Such equations can easily become unstable if
discretized using the Galerkin finite element method. Stabilized finite element
methods are usually necessary in order to obtain physical solutions. The stabilization

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 161

 settings are found in the main Fluid Flow interface features. To display this section,
click the Show button ( ) and select Stabilization.

There are three types of stabilization methods available for Navier-Stokes —

streamline diffusion, crosswind diffusion, and isotropic diffusion. Streamline
diffusion and crosswind diffusion are consistent stabilization methods, whereas
isotropic diffusion is an inconsistent stabilization method.

For optimal functionality, the exact weak formulations of and constants in the
streamline diffusion and crosswind diffusion methods depend on the order of the
shape functions (basis functions) for the elements. The values of constants in the
streamline diffusion and crosswind diffusion methods follow Ref. 5 and Ref. 6.

STREAMLINE DIFFUSION
For strongly coupled systems of equations, the streamline diffusion method must be
applied to the system as a whole rather than to each equation separately. These ideas
were first explored by Hughes and Mallet (Ref. 7) and were later extended to Galerkin
least-squares (GLS) applied to the Navier-Stokes equations (Ref. 8). This is the
streamline diffusion formulation that COMSOL Multiphysics supports. The time-scale
tensor is the diagonal tensor presented in Ref. 9.

Streamline diffusion is active by default because it is necessary when convection is

dominating the flow.

The governing equations for incompressible flow are subject to the Babuska-Brezzi
condition, which states that the shape functions (basis functions) for pressure must be
of lower order than the shape functions for velocity. If the incompressible
Navier-Stokes equations are stabilized by streamline diffusion, it is possible to use
equal-order interpolation. Hence, streamline diffusion is necessary when using
first-order elements for both velocity and pressure. This applies also if the model is
solved using geometric multigrid (either as a solver or as a preconditioner) and at least
one multigrid hierarchy level uses linear Lagrange elements.

CROSSWIND DIFFUSION
Crosswind diffusion can also be formulated for systems of equations, and when applied
to the Navier-Stokes equations it becomes a shock-capturing operator. COMSOL
Multiphysics supports the formulation in Ref. 8 with a shock-capturing viscosity of the
Hughes-Mallet type Ref. 7.

162 | CHAPTER 4: FLUID FLOW INTERFACE

Incompressible flows do not contain shock waves, but crosswind diffusion is still useful
for introducing extra diffusion in sharp boundary layers and shear layers that otherwise
would require a very fine mesh to resolve.

Crosswind diffusion is active by default as it makes it easier to obtain a solution even if

the problem is fully resolved by the mesh. Crosswind diffusion also enables the iterative
solvers to use inexpensive presmoothers. If crosswind diffusion is deactivated, more
expensive preconditioners must be used instead.

ISOTROPIC DIFFUSION
Isotropic diffusion adds diffusion to the Navier-Stokes equations. Isotropic diffusion
significantly reduces the accuracy of the solution but does a very good job at reducing
oscillations. The stability of the continuity equation is not improved.

Numerical Stabilization and Iterative in the COMSOL Multiphysics

Reference Manual

Solvers for Laminar Flow

The Navier-Stokes equations constitute a nonlinear equation system. A nonlinear
solver must hence be applied to solve the problem. The nonlinear solver iterates to
reach the final solution. In each iteration, a linearized version of the nonlinear system
is solved using a linear solver. In the time-dependent case, a time marching method
must also be applied. The default suggestions for each of these solver elements are
discussed below.

NONLINEAR SOLVER
The nonlinear solver method depends on if the model solves a stationary or a
time-dependent problem.

Stationary Solver
In the stationary case, a fully coupled, damped Newton method is applied. The initial
damping factor is low since a full Newton step can be harmful unless the initial values
are close to the final solution. The nonlinear solver algorithm automatically regulates
the damping factor in order to reach a converged solution.

For advanced models, the automatically damped Newton method might not be robust
enough. A pseudo time-stepping algorithm can then be invoked. See Pseudo Time
Stepping for Laminar Flow Models.

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 163

 Time-Dependent Solver
In the time-dependent case, the initial guess for each time step is (loosely speaking) the
previous time step, which is a very good initial value for the nonlinear solver. The
automatic damping algorithm is then not necessary. The damping factor in the
Newton method is instead set to a constant value slightly smaller than one. Also, for
the same reason, it suffices to update the Jacobian once per time-step.

It is seldom worth the extra computational cost to update the Jacobian more than once
per time step. For most models it is more efficient to restrict the maximum time step
or possibly lower the damping factor in the Newton method.

LINEAR SOLVER
The linearized Navier-Stokes equation system has saddle point character, unless the
density depends on the pressure. This means that the Jacobian matrix has zeros on the
diagonal. Even when the density depends on the pressure, the equation system
effectively shares many numerical properties with a saddle point system.

For small 2D and 3D models, the default solver suggestion is a direct solver. Direct
solvers can handle most nonsingular systems and are very robust and also very fast for
small models. Unfortunately, they become slow for large models and their memory
requirement scales as somewhere between N1.5and N2, where N is the number of
degrees of freedom in the model. The default suggestion for large 2D and 3D models
is therefore the iterative GMRES solver. The memory requirement for an iterative
solver optimally scales as N.

GMRES is accelerated by a multigrid method, per default the Smoothed Aggregation

Algebraic Mutligrid (SAAMG) method. The cost of SAAMG is typically very low
compared to the number of GMRES iterations necessary if no multigrid method is
used. As the name implies, SAAMG builds its coarser meshes algebraically, so the
application requires no additional meshes in order to employ SAAMG. In contrast,
Geometric Multigrid (GMG) requires actual meshes. If a sufficient number of
multigrid levels can be constructed, GMG is often faster than SAAMG. GMG is also
superior for cluster computations and for shared memory computations with many
cores. When the default linear solver is GMRES, an optional, but deactivated, linear
solver node is available where GMRES is accelerated by GMG.

Multigrid methods need smoothers, but the saddle point character of the linear system
restricts the number of applicable smoothers. The choices are further restricted by the
anisotropic meshes frequently encountered in fluid-flow problems. The efficiency of
the smoothers is highly dependent on the numerical stabilization. Iterative solvers
perform at their best when both Streamline Diffusion and Crosswind Diffusion are

164 | CHAPTER 4: FLUID FLOW INTERFACE

active.

The default smoother for P1+P1 elements is SCGS. This is an efficient and robust
smoother specially designed to solve saddle point systems on meshes that contain
anisotropic elements. The SCGS smoother works well even without crosswind
diffusion. SCGS can sometimes work for higher-order elements, especially if Method in
the SCGS settings is set to Mesh element lines. But there is no guarantee for this, so the
default smoother for P2+P1 elements and P3+P2 elements is an SOR Line smoother.
SOR Line handles mesh anisotropy but does not formally address the saddle point
character. It does, however, function in practice provided that streamline diffusion and
crosswind diffusion are both active.

A different kind of saddle point character can arise if the equation system contains
ODE variables. Some advanced boundary conditions can add equations with such
variables. These variables must be treated with the Vanka algorithm. SCGS includes an
option to invoke Vanka. Models with higher-order elements must apply SCGS or use
the Vanka smoother. The latter is the default suggestion for higher-order elements, but
it does not work optimally for anisotropic meshes.

TIME-DEPENDENT SOLVERS
The default time-dependent solver for Navier-Stokes is the BDF method with
maximum order set to two. Higher BDF orders are not stable for transport problems
in general nor for Navier-Stokes in particular.

BDF methods have been used for a long time and are known for their stability.
However, they can have severe damping effects, especially the lower-order methods.
Hence, if robustness is not an issue, a model can benefit from using the generalized-α
method instead. Generalized-α is a solver which has properties similar to those of the
second-order BDF solver but it is much less diffusive.

Both BDF and generalized-α are per default set to automatically adjust the time step.
While this works well for many models, extra efficiency and accuracy can often be
gained by specifying a maximum time step. It is also often beneficial to specify an initial
time step to make the solver progress smoothly in the beginning of the time series.

In the COMSOL Multiphysics Reference Manual:

• Time-Dependent Solver
• Multigrid, Direct, Iterative, SCGS, SOR Line, and Vanka
• Stationary Solver

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 165

 Pseudo Time Stepping for Laminar Flow Models
A stationary formulation has per definition no time derivatives and Equation 4-11
reduces to:

T
ρ ( u ⋅ ∇ )u = ∇ ⋅ [ – pI + μ ( ∇u + ( ∇u ) ) ] + F (4-28)

Solving Equation 4-28 requires a starting guess that is close enough to the final
solution. If no such guess is at hand, the fully transient problem can be solved instead.
This is, however, a rather costly approach in terms of computational time. An
intermediate approach is to add a fictitious time derivative to Equation 4-28:

u – nojac ( u ) T
ρ --------------------------------- + ρ ( u ⋅ ∇ )u = ∇ ⋅ [ – pI + μ ( ∇u + ( ∇u ) ) ] + F
Δt̃

where Δt̃ is a pseudo time step. Since u−nojac(u) is always zero, this term does not
affect the final solution. It does, however, affect the discrete equation system and
effectively transforms a nonlinear iteration into a step of size Δt̃ of a time-dependent
solver.

Pseudo time stepping is not active per default. The pseudo time step Δt̃ can be chosen
individually for each element based on the local CFL number:

h
Δt̃ = CFL loc -------
u

where h is the mesh cell size. A small CFL number means a small time step. It is
practical to start with a small CFL number and gradually increase it as the solution
approaches steady state.

If the automatic expression for CFLloc is set to the built-in variable CFLCMP, then the
automatic setting suggests a PID regulator for the pseudo time step in the default
solver. The PID regulator starts with a small CFL number and increases CFLloc as the
solution comes closer to convergence.

The default manual expression is

1.3 min ( niterCMP, 9 ) +

if ( niterCMP > 20, 9 ⋅ 1.3 min ( niterCMP – 20, 9 ), 0 ) + (4-29)
if ( niterCMP > 40, 90 ⋅ 1.3 min ( niterCMP – 40, 9 ), 0 )

The variable niterCMP is the nonlinear iteration number. It is equal to one for the first
nonlinear iteration. CFLloc starts at 1.3 and increases by 30% each iteration until it

166 | CHAPTER 4: FLUID FLOW INTERFACE

reaches 1.3 9 ≈ 10.6 . It remains there until iteration number 20 at which it starts to
increase until it reaches approximately 106. A final increase after iteration number 40
then takes it to 1060. Equation 4-29 can, for some advanced flows, increase CFLloc
too slowly or too quickly. CFLloc can then be tuned for the specific application.

For details about the CFL regulator, see Pseudo Time Stepping in the
COMSOL Multiphysics Reference Manual.

Discontinuous Galerkin Formulation

Some boundary conditions are implemented using a discontinuous Galerkin
formulation. These boundary conditions include

• Wall – Slip, Sliding walls and moving walls (that is, walls with non-zero translational
velocity).
• Periodic Flow Condition
• Flow Continuity

The formulation used in the Fluid Flow interfaces in COMSOL Multiphysics is the
Symmetric Interior Penalty Galerkin method (SIPG). The SIPG method can be
regarded to satisfy the boundary conditions in an integral sense rather than pointwise.
More information on SIPG can be found in Ref. 13.

In particular, the SIPG formulation includes a penalty parameter that must be large
enough for the formulation to be coercive. The higher the value, the better the
boundary condition is fulfilled, but a too high value results in an ill-conditioned
equation system. The penalty parameter in COMSOL Multiphysics is implemented
according to Ref. 14.

Particle Tracing in Fluid Flow

The Particle Tracing Module is available to assist with these types of modeling
problems.

It is possible to model particle tracing with COMSOL Multiphysics provided that the
impact of the particles on the flow field is negligible. First compute the flow field, and
then, as an analysis step, calculate the motion of the particles. The motion of a particle
is defined by Newton’s second law

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 167

 2
= F  t, x, 
d x dx
m
dt2  dt 

where x is the position of the particle, m the particle mass, and F is the sum of all forces
acting on the particle. Examples of forces acting on a particle in a fluid are the drag
force, the buoyancy force, and the gravity force. The drag force represents the force
that a fluid exerts on a particle due to a difference in velocity between the fluid and the
particle. It includes the viscous drag, the added mass, and the Basset history term.
Several empirical expressions have been suggested for the drag force. One of those is
the one proposed by Khan and Richardson (Ref. 11). That expression is valid for
spherical particles for a wide range of particle Reynolds numbers. The particle
Reynolds number is defined as

u – u p 2rρ
Re p = ------------------------------
μ

where u is the velocity of the fluid, up the particle velocity, r the particle radius, ρ the
fluid density, and μ the dynamic viscosity of the fluid. The empirical expression for the
drag force according to Khan and Richardson is

2 -0.31 3.45
F = πr ρ u – u p ( u – u p ) [ 1.84Re p + 0.293Re p0.06 ]

The model Flow Past a Cylinder (Application Library path

COMSOL_Multiphysics/Fluid_Dynamics/cylinder_flow) demonstrates how to
add and set up particle tracing in a plot group using the Particle Tracing
with Mass node. It uses the predefined Khan-Richardson model for the
drag force and neglects gravity and buoyancy forces.

References for the Single-Phase Flow, Laminar Flow Interfaces

1. G.G. Stokes, Trans. Camb. Phil. Soc., 8, 287-305, 1845

2. P.M. Gresho and R.L. Sani, Incompressible Flow and the Finite Element Method,
Volume 2: Isothermal Laminar Flow, John Wiley & Sons, 2000.

3. G.K. Batchelor, An Introduction To Fluid Dynamics, Cambridge University Press,

1967.

4. R.L. Panton, Incompressible Flow, 2nd ed., John Wiley & Sons, 1996.

168 | CHAPTER 4: FLUID FLOW INTERFACE

5. I. Harari and T.J.R. Hughes, “What are C and h? Inequalities for the Analysis and
Design of Finite Element Methods,” Comp. Meth. Appl. Mech. Engrg, vol. 97,
pp. 157–192, 1992.

6. Y. Bazilevs, V.M. Calo, T.E. Tezduyar, and T.J.R. Hughes, “YZβ Discontinuity
Capturing for Advection-dominated Processes with Application to Arterial Drug
Delivery,” Int.J.Num. Meth. Fluids, vol. 54, pp. 593–608, 2007.

7. T.J.R. Hughes and M. Mallet, “A New Finite Element Formulation for

Computational Fluid Dynamics: III. The Generalized Streamline Operator for
Multidimensional Advective-Diffusive System,” Comp. Meth. Appl. Mech. Engrg,
vol. 58, pp. 305–328, 1986.

8. G. Hauke and T.J.R. Hughes, “A Unified Approach to Compressible and

Incompressible Flows,” Comp. Meth. Appl. Mech. Engrg, vol. 113, pp. 389–395,
1994.

9. G. Hauke, “Simple Stabilizing Matrices for the Computation of Compressible Flows

in Primitive Variables,” Comp. Meth. Appl. Mech. Engrg, vol. 190, pp. 6881–6893,
2001.

10. D.J. Tritton, Physical Fluid Dynamics, 2nd ed., Oxford University Press, 1988.

11. J.M. Coulson and J.F. Richardson, “Particle Technology and Separation
Processes,” Chemical Engineering, Volume 2, Butterworth-Heinemann, 2002.

12. J.L. Guermond, P. Minev, and J. Shen, “An overview of projection methods for
incompressible flows,” Comp. Meth. Appl. Mech. Engrg, vol. 195, pp. 6011–6045,
2006.

13. B. Rivière, Discontinuous Galerkin Methods for Solving Elliptic and Parabolic
Equations, SIAM, 2008.

14. Y. Epshteyn and B. Rivière, “Estimation of penalty parameters for symmetric

interior penalty Galerkin methods,” J. Computational and Applied Mathematics,
vol. 206, pp. 843–872, 2007.

15. G. Kariadakis, A. Beskok, and N. Aluru, Microflows and Nanoflows, Springer

Science and Business Media, 2005.

16. R.P. Chhabra and J.F. Richardson, Non-Newtonian Flow and Applied Rheology,
2nd ed., Elsevier, 2008.

THEORY FOR THE SINGLE-PHASE FLOW LAMINAR INTERFACE | 169

170 | CHAPTER 4: FLUID FLOW INTERFACE
 5

The Boltzmann Equation,

Two-Term Approximation Interface

This chapter describes the Boltzmann Equation, Two-Term Approximation

interface, found under the Plasma branch ( ) when adding a physics interface.

In this chapter:

• The Boltzmann Equation, Two-Term Approximation Interface

• Theory for the Boltzmann Equation, Two-Term Approximation Interface

171
 T he B o ltz m a nn E q u at i on , Two- Term
Approximation Interface
The Boltzmann Equation, Two-Term Approximation (be) interface ( ), found under
the Plasma branch ( ) when adding a physics interface, studies the electron energy
distribution function (EEDF) and calculates it from a set of collision cross sections for
some mean discharge conditions. The physics interface is different because the
geometry and mesh are fixed and automatically generated when the physics interface
is added to a model. The x-axis represents an energy coordinate rather than physical
space, enabling sets of collision cross sections to be loaded and the properties of the
distribution function set. Additionally, electron source coefficients and transport
properties can be computed. The Boltzmann Equation, Two-Term Approximation
interface is intended as a preprocessing step before solving space-dependent models.
This physics interface is available for 1D components.

When this physics interface is added, these default nodes are also added to the Model
Builder: Boltzmann Model and Initial Values. Then, from the Physics toolbar, add other
nodes that implement, for example, boundary conditions. You can also right-click
Boltzmann Equation, Two-Term Approximation to select physics features from the
context menu.

The Reduced Electric Fields study is available for this physics interface
and described in the COMSOL Multiphysics Reference Manual.

SETTINGS
The Label is the default physics interface name.

The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers, and
underscores (_) are permitted in the Name field. The first character must be a letter.

The default Name (for the first physics interface in the model) is be.

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DOMAIN SELECTION

There is always only one domain for the physics interface. The position
and length of the domain are automatically generated and rarely need to
be changed.

CROSS SECTION IMPORT

Browse to a file containing a set of collision cross sections.

The file must follow the format documented in Importing Collision

Cross-Section Data.

ELECTRON ENERGY DISTRIBUTION FUNCTION

Select an Electron energy distribution function (EEDF)—Maxwellian (the default),
Druyvesteyn, Generalized, or Boltzmann.

• Select Maxwellian to assume a Maxwellian EEDF, which takes the form:

–3 ⁄ 2
f(ε) = ϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where

3⁄2 –5 ⁄ 2 –1
β1 = Γ ( 5 ⁄ 2 ) Γ(3 ⁄ 2) , β 2 = Γ ( 5 ⁄ 2 )Γ ( 3 ⁄ 2 )

and ϕ is the mean electron energy (eV), ε is the electron energy (eV) and Γ is the upper
incomplete gamma function.

• Select Druyvesteyn to assume a Druyvesteyn EEDF, which takes the form:

–3 ⁄ 2 2
f ( ε ) = 2ϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where

3⁄2 –5 ⁄ 2 –1
β1 = Γ ( 5 ⁄ 4 ) Γ(3 ⁄ 4) , β 2 = Γ ( 5 ⁄ 4 )Γ ( 3 ⁄ 4 )

• Select Generalized for a generalized distribution function where the EEDF is

somewhere between Maxwellian and Druyvesteyn. For Generalized enter a value for
the Power law g (dimensionless). The default is 1, and this number should be
between 1 and 2. Mathematically, the EEDF takes the form:

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 –3 ⁄ 2 g
f ( ε ) = gϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where
3⁄2 –5 ⁄ 2 –1
β 1 = Γ ( 5 ⁄ 2g ) Γ ( 3 ⁄ 2g ) , β 2 = Γ ( 5 ⁄ 2g )Γ ( 3 ⁄ 2g ) , 1 ≤ g ≤ 2

So, when g = 1 the distribution function is Maxwellian and when g = 2 it is

Druyvesteyn.
• Select Boltzmann to solve a two-term approximation to the Boltzmann equation.
When selected, the EEDF is computed from a partial differential equation instead
of by taking an assumed function. The two-term Boltzmann equation is a
complicated, nonlocal integral equation.

BOLTZMANN PROPERTIES
This section is available when Boltzmann is selected as the Electron energy distribution
function. These settings also enable available settings on the Settings window for
Boltzmann Model.

• Select On or Off (the default) from the Electron-electron collisions list. If the
ionization degree of the discharge is high then set this property to On.
Electron-electron collisions tend to make the distribution function more
Maxwellian and they also increase the complexity of the problem.
• Select an option from the Secondary electron energy sharing list — Equal (the default)
or Zero energy.
This describes how the energy is split between two electrons when an ionization
collision occurs. If set to Equal, then both electrons take an equal energy after the
collision. If the property is set to Zero energy then the secondary electron created in
an ionization collision has zero energy and the ionizing electron carries all the excess
energy.
• Select On or Off (the default) from the Oscillating field list. Only select On if the
reduced angular frequency of the discharge is high, which is typically only true for
microwave discharges. The reduced angular frequency is the ratio of the angular
frequency and the neutral number density, ω/N.

DEPENDENT VARIABLES
The dependent variable (field variable) for the EEDF. The name can be changed but the
names of fields and dependent variables must be unique within a model.

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DISCRETIZATION
To display this section, click the Show button ( ) and select Discretization.

• Domain, Boundary, and Pair Nodes for the Boltzmann Equation,

Two-Term Approximation Interface
• Theory for the Boltzmann Equation, Two-Term Approximation
Interface

Argon Boltzmann Analysis: Application Library path Plasma_Module/

Two-Term_Boltzmann_Equation/boltzmann_argon

Domain, Boundary, and Pair Nodes for the Boltzmann Equation,

Two-Term Approximation Interface
The Boltzmann Equation, Two-Term Approximation Interface has these domain,
boundary, and pair nodes, listed in alphabetical order, available from the Physics ribbon
toolbar (Windows users), Physics context menu (Mac or Linux users), or right-click to
access the context menu (all users).

In general, to add a node, go to the Physics toolbar, no matter what

operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.

• Boltzmann Model • Initial Values

• Boundary Settings • Zero Energy Flux
• Collision • Zero Probability

In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.

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 Boltzmann Model

This node is available when Boltzmann is selected as the Electron Energy

Distribution Function.

In the Boltzmann Model node, values for specific discharge parameters are set. The
number of parameters needed depends on the property settings for the physics
interface.

DOMAIN SELECTION

There is always only one domain for the physics interface. The position
and length of the domain are automatically generated and rarely needs to
be changed.

BOLTZMANN SETTINGS
• Enter a Gas temperature Tg (SI unit: K). The default is 300 K. The gas temperature
influences the amount of energy loss that an electron suffers during an elastic
collision. The higher the gas temperature, the lower the energy loss for an electron
during an elastic collision.
• If the Electron-electron collisions property is set to On in the Boltzmann Properties
section, enter an estimate for the Electron density ne (SI unit: 1/m3).
There is a weak dependence on the electron density in Equation 5-1 which accounts
for the screening of the Coulomb potential by space charge effects (Ref. 1).
• If the Electron-electron collisions property is set to On in the Boltzmann Properties
section, enter an Ionization degree β (dimensionless).
The ionization degree can have a significant effect on the shape of the electron
energy distribution function. When the ionization degree is very low, the tail of the
distribution function tends to decrease very rapidly. As the ionization degree
increases, the distribution function tends to become more Maxwellian, resulting in
a greater proportion of electrons with higher energies. This can have a profound
effect on the rate coefficients for ionization and excitation collisions because of their
high energy threshold.

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• If the Oscillating field property is set to On in the Boltzmann Properties section, enter
a Reduced angular frequency ω/N (SI unit: m3/s). The default is 10−13 m3/s.
If the reduced angular frequency is high, the proportion of electrons with high
energies is substantially increased for the same mean electron energy. This is because
in DC fields, collisional momentum transfer impedes electrons acquiring higher
energies but high frequency fields have the opposite effect.

MOLE FRACTION SETTINGS

Specify the mole fraction of each of the target species in the set of collision cross
sections.

Since the sum of all the mole fractions must be equal to one, select the Sum equals 1
check box to compute the mole fraction of the first species based on the mole fractions
of all the other species. The Mole fraction of the first species cannot be edited when this
option is selected.

Mole fraction. There are N text fields available for setting the mole fractions of each
species, where N is the total number of target species. Enter the Mole fraction expected
to be observed in the discharge for each target species. The mole fraction of
electronically excited species can have a strong effect on the shape of the electron
energy distribution function.

Initial Values

The Initial Values node is only available if Boltzmann is selected as the

Electron Energy Distribution Function. The Initial Values node allows
you to set an initial guess for the mean electron energy, the Townsend
reduced electric field, and the initial condition for a Lagrange multiplier.

DOMAIN SELECTION

There is always only one domain for the physics interface. The position
and length of the domain are automatically generated and should not be
changed.

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 INITIAL VALUES
• Enter an Initial mean electron energy e0 (SI unit: V). The default is 2 V.
This value should be equal to the mean electron energy of the first parameter in the
parametric sweep. COMSOL Multiphysics constructs an initial guess at the EEDF
by assuming a Maxwellian distribution function with the specified mean electron
energy.
• Enter an Initial reduced electric field E/N0 (dimensionless). The default is 1[Td] and
this rarely needs to be changed. This is the initial reduced electric field used to
compute the distribution function.
• Enter an Initial condition for lam λ0 (dimensionless). The default is 1e-27 and this
rarely needs to be changed.
This value is an initial guess for a Lagrange multiplier, which is used to force the
mean electron energy to be equal to the specified mean electron energy.

Collision
Use the Collision node to add collisions to a model by entering a formula and some
properties of the collision. The cross-section data can be entered manually or by
loading it from a file.

Load in multiple cross sections from a file in the Boltzmann Equation,

Two-Term Approximation settings. In this case, the collision features are
automatically generated.

DOMAIN SELECTION

There is always only one domain for the physics interface. The position
and length of the domain are automatically generated and should not be
changed.

COLLISION
Enter a Formula for the collision.

Select a Collision type: Elastic (the default), Excitation, Attachment, or Ionization.

• For Elastic enter a value for the Electron mass ratio mr (dimensionless) (the ratio of
the mass of the electron to the target species).

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• Select Excitation for excitation reactions where the collision is inelastic. Enter the
Energy loss Δe (SI unit: V) for the reaction. This is also known as threshold energy
for the reaction. Select this option for electronic excitation, vibrational and
rotational excitation, and superelastic collisions. For superelastic collisions, the
activation energy is negative.
• Select Attachment for collisions which result in the electron attaching to the target
species, forming a negative ion. No user input is required.
• Select Ionization for electron impact reactions which result in secondary electrons
being formed. Enter the Energy loss Δe (SI unit: V) for the reaction. This is also
known as threshold energy for the reaction.

CROSS SECTION DATA

Enter the cross section data in two columns. Enter the Electron energy (SI unit: eV)
and the Collision cross section data (SI unit: m2). Also click the Load from file
button ( ) to import data from a text file. The file must contain the two columns
of data (Electron energy (SI unit: eV) in the first column and Collision cross section data
(SI unit: m2) in the second column).

Boundary Settings
The boundary conditions are always the same, Zero energy flux at ε = 0 and Zero
probability as ε → ∞.

Zero Energy Flux

The Zero Energy Flux boundary condition should always be applied at x = 0. Physically
the boundary condition specifies that no electrons can have energy less than zero
electron volts.

Zero Probability
The Zero Probability boundary condition should always be applied at ε = 100.
Physically the boundary condition states that there are no electrons with infinite
energy. Instead of solving the problem in an infinite domain, the maximum value of ε
is chosen to be large enough so it does not affect the results. The default is ε = 100.

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 Theory for the Boltzmann Equation,
Two-Term Approximation Interface
The Boltzmann Equation, Two-Term Approximation Interface theory is described in
this section:

• The Electron Energy Distribution Function

• Boltzmann Equation, Two-Term Approximation
• References for the Boltzmann Equation, Two-Term Approximation Interface

The Electron Energy Distribution Function

For computing the electron density and electron energy according to Equation 6-5
and Equation 6-6 transport properties and source coefficients are required. These
coefficients can be calculated from collision cross-section data and the (unknown)
electron energy distribution function (EEDF). The equation formulation used in the
physics interface depends on whether the EEDF is an assumed function (Maxwellian,
Druyvesteyn or Generalized) or is to be explicitly computed by the Boltzmann
equation, using the two-term approximation.

In order to remain consistent with Ref. 1, the unit of electron energy and mean
electron energy is specified in volts, rather than electron volts. The two quantities can
be converted to each other via the unit charge, which is the built-in variable e_const
in COMSOL. So, the mean electron energy (in volts) is equal to the mean electron
energy (in eV) divided by the unit charge.

Obtaining a physical solution for a fluid model of a plasma largely depends on how
self-consistently the transport properties and source coefficients are calculated. By
solving the two-term Boltzmann equation, maximum consistency is obtained between
the kinetic and fluid description of the electron dynamics.

Solving the Boltzmann equation also makes it possible to calculate the drift velocity.
The drift velocity is an important quantity because it depends on all the collisions
which make up the plasma chemistry. The drift velocity is easy to measure, and
comparing the experimental and simulated drift velocity is therefore straightforward.
Indeed, collision cross sections are often inferred from drift velocity data.

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Verifying that the experimental drift velocity agrees with the computed drift velocity is
a good indicator that a given set of cross sections are correct. This physics interface
makes it easy to compare the computed drift velocity to experimental data. A treatise
on experimental measurements of the drift velocity is available in Ref. 2.

Consider the following expression

–3 ⁄ 2 g
f ( ε ) = gϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where the following definitions apply

3⁄2 –5 ⁄ 2 –1
β 1 = Γ ( 5 ⁄ 2g ) Γ ( 3 ⁄ 2g ) , β 2 = Γ ( 5 ⁄ 2g )Γ ( 3 ⁄ 2g ) , 1 ≤ g ≤ 2

and ϕ is the mean electron energy. Depending on the value of the variable, g, the
distribution function is either Maxwellian (g = 1), Druyvesteyn (g = 2), or
Generalized (1 < g < 2). Mathematically, the distribution functions are defined as:

MAXWELLIAN EEDF
–3 ⁄ 2
f(ε) = ϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

3⁄2 –5 ⁄ 2 –1
β1 = Γ ( 5 ⁄ 2 ) Γ(3 ⁄ 2) , β 2 = Γ ( 5 ⁄ 2 )Γ ( 3 ⁄ 2 )

DRUYVESTEYN EEDF
–3 ⁄ 2 2
f ( ε ) = 2ϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

3⁄2 –5 ⁄ 2 –1
β1 = Γ ( 5 ⁄ 4 ) Γ(3 ⁄ 4) , β 2 = Γ ( 5 ⁄ 4 )Γ ( 3 ⁄ 4 )

GENERALIZED EEDF
–3 ⁄ 2 g
f ( ε ) = gϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

3⁄2 –5 ⁄ 2 –1
β 1 = Γ ( 5 ⁄ 2g ) Γ ( 3 ⁄ 2g ) , β 2 = Γ ( 5 ⁄ 2g )Γ ( 3 ⁄ 2g ) , 1 ≤ g ≤ 2

Boltzmann Equation, Two-Term Approximation

The Boltzmann equation describes the evolution of a distribution function, f, in
six-dimensional phase space:

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 ∂f e
+ v ⋅ ∇f – ----- ( E ⋅ ∇ v f ) = C [ f ] .
∂t m

To be able to solve the Boltzmann equation and thus compute the EEDF, drastic
simplifications are necessary. A common approach is to expand the distribution
function in spherical harmonics. For high precision, six or more terms might be
needed. If the EEDF can be assumed almost spherically symmetric, the series can be
truncated after the second term. The EEDF becomes symmetric because in elastic
collisions with neutral atoms, the direction of motion of the electrons is changed and
their loss of energy is small due to large mass difference. The two-term approximation
is valid for all values of reduced electric field (the ratio of the electric field to the
number density of the background gas) if inelastic scattering can be neglected. There
is no minimum in the cross section, and the cross section for momentum transfer is
related to the electron energy by a power-law dependence (Ref. 3).

When the Boltzmann equation option is selected, it becomes necessary to solve a 1D

reaction/convection/diffusion equation to compute the EEDF. The equation is
somewhat special because the source term is nonlocal and the convection and diffusion
coefficients depend on the integral of the solution. The stationary two-term
Boltzmann equation, including the effects of electron-electron collisions is:

∂  Wf – D ∂f  = S
∂ ε ∂ ε

where

ne
W = – γε σ ε – 3a  ------- A 1
2
 N n

γ E 2 ε γk b T 2 ne
D = ---  -------  -------- + ------------- ε σ ε + 2a  ------- ( A 2 + ε A 3 )
3⁄2
3 Nn σm q Nn

The following definitions apply

2
q γ
a = ---------------2- ln Λ
24πε 0

3⁄2
12π ( 2ε 0 qε ⁄ 3 )
Λ = ----------------------------------------------
3 1⁄2
- (5-1)
q ne

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 σm =  xk σk
k = all

me
σε =  2  ------- x k σ k
M
k = elastic

λ-
σ̃ m = σ m + ----------
1⁄2
ε

ε
1⁄2
A1 = 0 u f ( u ) du

ε
3⁄2
A2 = 0 u f ( u ) du

∞
A3 = ε f ( u ) du
Here:

• γ = (2q/me)1/2 (SI unit: C1/2/kg1/2)

• me is the electron mass (SI unit: kg)
• ε is energy (SI unit: V)
• σε is the total elastic collision cross section (SI unit: m2)
• σm is the total collision cross section (SI unit: m2)
• q is the electron charge (SI unit: C)
• ε0 is the permittivity of free space (SI unit: F/m)
• T is the temperature of the background gas (SI unit: K)
• kb is the Boltzmann constant (SI unit: J/K)
• ne is the electron density (SI unit: 1/m3)
• Nn is the background gas density (SI unit: 1/m3)
• Λ is the Coulomb logarithm, and
• M is the mass of the target species (SI unit: kg).

The source term, S represents energy loss due to inelastic collisions. Because the
energy loss due to an inelastic collision is quantized, the source term is nonlocal in

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 energy space. The source term can be decomposed into four parts where the following
definitions apply:

1⁄2
S =  C k – γλε f
k = inelastic

C k = excitation = – γx k [ εσ k ( ε )f ( ε ) – ( ε + Δε k )σ k ( ε + Δε k )f ( ε + Δε k ) ]

C k = att = – γx k εσ k ( ε )f ( ε )

C ion = – γx k [ εσ k ( ε )f ( ε ) – ( ε + Δε k )σ k ( ε + Δε k )f ( ε + Δε k ) ]
∞
+ δγx k 0 uσk ( u )f ( u ) du
where xk is the mole fraction of the target species for reaction k, σk is the collision cross
section for reaction k, Δεk is the energy loss from collision k, and δ is the delta function
at ε = 0. The term, λ is a scalar valued renormalization factor which ensures that the
EEDF has the following property:

∞
1⁄2
0 fε dε = 1 (5-2)

An ODE is implemented to solve for the value of λ such that Equation 5-2 is satisfied.
The rate coefficients are computed from the EEDF by way of the following integral

∞
kk = γ 0 εσk ( ε )f ( ε ) dε
The mean electron energy is defined by the integral

∞
3⁄2
ε = 0 fε dε (5-3)

In order to set the mean electron energy to a specific setpoint, a second Lagrange
multiplier is introduced to solve for the reduced electric field, such that Equation 5-3
is satisfied. The weak form of the constraint is:

∞ ˜
 3⁄2
dε – ε sp  ------- = 0
E
 0 fε
  N n

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where tilde denotes test function. The drift velocity is computed from the following
integral:

∞
γ ε ∂f
w = –  ---  -------
E
-   dε
 3  N n 0 -------
σ m  ∂ ε

The drift velocity is an important quantity for two reasons. Firstly, it provides a
convenient way of comparing the results of the Boltzmann equation to experimental
data. The second reason is that it allows the Townsend coefficients to be computed
using:

kk
α k = ------
w

When the distribution function is assumed, the reduced electric field must be
computed in a completely different manner. The reduced electric field is not required
to compute the rate coefficients or transport properties. It only needs to be calculated
so that the Townsend coefficients and the drift velocity can be computed. The
following expression is defined:

 -------
E ϒ
= --------------
 N n μe Nn

where

ϒ =  xk kk Δεk
k

and Δεk is the energy loss for collision k. If the collision is elastic, the energy loss is
defined as:

me
Δε k = 2ε  -------
M

A plot of the drift velocity for different distribution functions versus the reduced
electric field for oxygen is shown in Figure 5-1. Experimental data is also included in
the plot.

The reduced transport properties are computed using the following integrals

∞
γ ε ∂f
μ e N n = –  --- -   dε
0 -------
3 σ m  ∂ ε

T H E O R Y F O R T H E B O L T Z M A N N E Q U A T I O N , TW O - TE R M A P P R O X I M A T I O N I N T E R F A C E | 185
 ∞
γ ε
D e N n =  --- 0 -------
- f dε
3 σm

∞ 2
γ ε ∂f
μ ε N n = –  ------ -   dε
0 -------
 3ε σ m  ∂ ε

∞ 2
γ ε-
D ε N n =  ------  ------- f dε
 3ε
0 σm

Figure 5-1: Plot of experimental and computed drift velocity for different distribution
functions.

The computed transport coefficients have little dependence on the type of EEDF.
However, the rate coefficients for excitation and ionization processes are highly
dependent on the shape of the EEDF, due to the exponential drop off in the
population of electrons at energies exceeding the activation threshold. Figure 5-2 plots
the ionization rate coefficient for oxygen for the types of distribution function.

186 | C H A P T E R 5 : T H E B O L T Z M A N N E Q U A T I O N , TW O - TE R M A P P R O X I M A T I O N I N T E R F A C E
Figure 5-2: Plot of ionization coefficient vs. mean electron energy for different
distribution functions.

References for the Boltzmann Equation, Two-Term Approximation

Interface
1. G.J.M. Hagelaar and L. C. Pitchford, “Solving the Boltzmann equation to obtain
electron transport coefficients and rate coefficients for fluid models”, Plasma Sources
Science and Technology, vol. 14, pp. 722–733, 2005.

2. J. Dutton, “A Survey of Electron Swarm Data”, J. Phys. Chem. Ref. Data, vol. 4,
pp. 577–866, 1975.

3. H.B. Milloy and R.O. Watts, “On the Validity of the Two-term Approximation in
the Solution of Boltzmann’s Equation for Electron Motion”, Aust. J. Phys., vol 30,
pp 73, 1977.

T H E O R Y F O R T H E B O L T Z M A N N E Q U A T I O N , TW O - TE R M A P P R O X I M A T I O N I N T E R F A C E | 187
188 | C H A P T E R 5 : T H E B O L T Z M A N N E Q U A T I O N , TW O - TE R M A P P R O X I M A T I O N I N T E R F A C E
 6

The Drift Diffusion Interface

This chapter describes the underlying electron transport theory for the Drift
Diffusion interface, found under the Plasma branch ( ) when adding a physics
interface.

In this chapter:

• The Drift Diffusion Interface

• Theory for the Drift Diffusion Interface

189
 The Drift Diffusion Interface
The Drift Diffusion (dd) interface ( ), found under the Plasma branch ( ) when
adding a physics interface, solves for the electron density and mean electron energy for
any type of plasma. A wide range of boundary conditions are available to handle
secondary emission, thermionic emission, and wall losses.

When this physics interface is added, these default nodes are also added to the Model
Builder — Drift Diffusion Model, Insulation (the default boundary condition), and Initial
Values. Then, from the Physics toolbar, add other nodes that implement, for example,
boundary conditions and velocity. You can also right-click Drift Diffusion to select
physics features from the context menu.

SETTINGS
The Label is the default physics interface name.

The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers, and
underscores (_) are permitted in the Name field. The first character must be a letter.

The default Name (for the first physics interface in the model) is dd.

ELECTRON PROPERTIES
Select the Use reduced electron transport properties or Compute tensor electron
transport properties, or Include thermal diffusion check boxes as needed and select the
model for the Mean electron energy—Local energy approximation (default), Local field
approximation or Fix mean electron energy.

Use Reduced Electron Transport Properties

Select the Use reduced electron transport properties check box to specify the electron
mobility, diffusivity, energy mobility and energy diffusivity in reduced form. The
neutral number density is then specified in the Drift Diffusion Model node. The electron
transport properties are computed from the reduced transport properties using:

μ red
μ e = ----------
Nn

190 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

where Nn is the user-defined neutral number density.

It is sometimes more convenient to use reduced transport properties,

since they can be output from The Boltzmann Equation, Two-Term
Approximation Interface.

Compute Tensor Electron Transport Properties

Select the Compute tensor electron transport properties check box to automatically
compute the tensor form of the electron mobility, diffusivity, energy mobility and
energy diffusivity when a static magnetic field is present. In this case the magnetic flux
density is specified in the Drift Diffusion Model feature.

Include Thermal Diffusion

Select the Include thermal diffusion check box to add an additional term to the
definition of the electron current due to gradients in the electron diffusivity. If the
diffusivity is a constant then including this does not effect the solution. It is only
necessary to include this term if the electron diffusivity is a function of the electron
temperature, and there are significant gradients in the electron temperature.

Mean Electron Energy

Select Local energy approximation (default) to solve the mean electron energy equation
self-consistently with the continuity, momentum and Poisson's equation, and to use
the mean electron energy to parametrize transport and source coefficients. This is the
most numerical demanding option to find the mean electron energy because of the
strong coupling between the mean electron energy and the electromagnetic fields.

If Local field approximation is selected it is assumed that transport and source

coefficients are well parametrized through the reduced electric field (E/Nn). The
relation between the reduced electric field and the mean electron energy needs to be
provided in the section Mean Electron Energy Specification in the Plasma Model node.
When using the local field approximation the fluid equation for the mean electron
energy is not solved, which reduces significantly the complexity of the numerical
problem. The local field approximation is valid in a situation where the rate of electron
energy gain from the electric field is locally balanced by the energy loss rate. When this
condition is met the electrons are said to be in local equilibrium with the electric field
and the electron mean properties can be expressed as a function of the reduced electric
field.

Select Fix mean electron energy to fix the mean electron energy to its initial value. This
can be useful in some situations because the strong coupling between the mean

THE DRIFT DIFFUSION INTERFACE | 191

 electron energy and the electromagnetic fields is removed. This allows for non-self
consistent models to be created quickly, since problems where the mean electron
energy is fixed are easier to solve numerically.

STABILIZATION
To display this section, click the Show button ( ) and select Stabilization.

If the Formulation is set to Finite element, log formulation (linear shape function) or Finite
element, log formulation (quadratic shape function) then the solver can run into
difficulties when the species mass fractions approach zero. The Source stabilization
check box (selected by default) adds an additional source term to the rate expression
for each species. In the ζ text field, enter a tuning parameter for the source
stabilization. The default value is 1. This value is usually good enough. If the plasma is
high pressure (atmospheric) then it can help to lower this number to somewhere in the
range of 0.25–0.5. For information on stabilization see Stabilization.

DISCRETIZATION
To display this section, click the Show button ( ) and select Discretization.

Select Formulation — Finite element, log formulation (linear shape function) (the default)
to solve the equations in logarithmic form, Finite element (linear shape function), Finite
element, log formulation (quadratic shape function), or Finite element (quadratic shape
function). The Log formulation solves for the log of the dependent variables, ensuring
that the mass fraction of any of the species is never lower than zero. This makes it more
numerically stable but increases the nonlinearity of the equation system, and as such
the model might take slightly longer to solve. The linear formulation solves the
equations in the original form.

DEPENDENT VARIABLES
The dependent variables (field variables) for the Electron density and Electron energy
density. The name can be changed but the names of fields and dependent variables
must be unique within a model.

• Domain, Boundary, and Pair Nodes for the Drift Diffusion Interface
• Stabilization
• Theory for the Drift Diffusion Interface

192 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

 Drift Diffusion Tutorial: Application Library path
Plasma_Module/Direct_Current_Discharges/drift_diffusion_tutorial

Domain, Boundary, and Pair Nodes for the Drift Diffusion Interface
The Drift Diffusion Interface has these domain, boundary, and pair nodes, listed in
alphabetical order, available from the Physics ribbon toolbar (Windows users), Physics
context menu (Mac or Linux users), or right-click to access the context menu (all
users).

In general, to add a node, go to the Physics toolbar, no matter what

operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.

In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.

The boundary conditions are used for the electron density and mean
electron energy, which make it easy to specify how the electrons interact
with the wall. Secondary emission, thermionic emission and reflection can
all be specified.

It is also possible to impose the specific value of the electron density or

mean electron energy on a boundary. This, however is not recommended
as imposing such a value on a solid surface tends not to fit the physics of
the interaction between a solid surface and electrons.

THE DRIFT DIFFUSION INTERFACE | 193

 • Drift Diffusion Model • General Power Deposition
• Initial Values • Inductive Power Deposition
• Electron Density and Energy • Insulation
• Electron Outlet • Microwave Power Deposition
• Electron Production Rate • Velocity
• Flux • Wall

Drift Diffusion Model

The Drift Diffusion Model adds the equations for electron transport in a plasma. Specify
expressions for the electron diffusivity, mobility, electron energy diffusivity and
electron energy mobility. There are also model inputs for the electric potential and
collisional power loss.

MODEL INPUTS
This section contain fields and values that are inputs to expressions that define material
properties. If such user-defined property groups are added, the model inputs are listed
here.

• Electric potential V (SI unit: V). Used to compute the electric field which results in
migration of the electrons.
• Collisional power loss Sen (SI unit: W/m3). Represents the energy loss due to elastic
and inelastic collisions.
• When the Use Reduced Electron Transport Properties check box is selected, chose
Neutral number density Nn (SI unit: 1/m3) to compute the electron transport.
• When the Compute Tensor Electron Transport Properties check box is selected,
chose Magnetic flux density B (SI unit: T) to compute the tensor form of the electron
transport properties when a static magnetic field is present.

The electric potential typically comes from an Electrostatics interface and the collisional
power loss is typically defined by The Heavy Species Transport Interface.

ELECTRON DENSITY AND ENERGY

This section is not available if the Compute Tensor Electron Transport Properties
check box is selected.

194 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

For all other choices, select an option from the Electron transport properties list —
Specify Mobility Only (the default), Specify All, or Use Lookup Tables.

The other transport properties are computed using Einstein’s relation,

see Tensor Transport Properties for more details.

Specify Mobility Only

When no check boxes, or the Include Thermal Diffusion or Mean Electron Energy
check boxes are selected, and if Specify mobility only is selected, enter a value or
expression for the Electron mobility μe (SI unit: m2/(V·s)). Select Isotropic, Diagonal,
Symmetric or Anisotropic based on the model. The electron diffusivity, energy mobility
and energy diffusivity are automatically computed using Einstein’s relation for a
Maxwellian EEDF:

D e = μ e T e, μ ε =  --- μ e, D ε = μ ε T e
5
(6-1)
 3

If the Use Reduced Electron Transport Properties check box is selected, enter the
Reduced electron mobility μeNn (SI unit: 1/(V·m·s)). The actual electron mobility is
then computed by dividing the reduced electron mobility by the neutral number
density. The electron diffusivity, energy mobility and energy diffusivity are then
computed as in Equation 6-1.

Specify All
For Specify all enter values or expressions for all of the properties, which can be either
scalars or tensors. The appropriate values for the transport properties can be computed
with The Boltzmann Equation, Two-Term Approximation Interface. For all of the
properties, select Isotropic, Diagonal, Symmetric or Anisotropic from the list based on the
model, then enter values or expressions for all of these properties:

• Electron mobility μe (SI unit: m2/(V·s))

• Electron diffusivity De (SI unit: m2/s)
• Electron energy diffusivity Den (SI unit: m2/s)
• Electron energy mobility μen (SI unit: m2/(V·s))

If the Use Reduced Electron Transport Properties check box is selected, then enter:

• Reduced electron mobility μeNn (SI unit: 1/(V·m·s))

• Reduced electron diffusivity DeNn (SI unit: 1/(m·s))

THE DRIFT DIFFUSION INTERFACE | 195

 • Reduced electron energy diffusivity DenNn (SI unit: 1/(m·s))
• Reduced electron energy diffusivity μenNn (SI unit: 1/(V·m·s))

Use Lookup Tables

For Use lookup tables enter or load a lookup table with the transport properties as listed
above versus mean electron energy (eV).

If the Use Reduced Electron Transport Properties check box is selected,

the appropriate values for the transport properties can be computed with
The Boltzmann Equation, Two-Term Approximation Interface and
written out to a text file. The text file can then be loaded in for each
electron transport property.

MEAN ELECTRON ENERGY SPECIFICATION

This section is available when the Mean electron energy is set to Local field
approximation. Select how to provide the relation between the reduce electric field and
the mean electron energy from the Specify using list—Expression or Use lookup table.

UNITS

The units of lookup tables used in the Plasma Model node can be chosen in this section
from predefined lists. This section is available if Electron transport properties is set to
Use lookup tables in the section Electron Density and Energy, or if Specify using is set to
Use lookup table in the section Mean Electron Energy Specification. Select the units from
the following lists:

• Mean electron energy—mV, V, kV, MV, GJ.

• Electron mobility—m2/(V.s), cm2/(V.s).
• Electron diffusivity—m2/s, cm2/s.
• Electron energy mobility—m2/(V.s), cm2/(V.s).
• Electron energy diffusivity—m2/s, cm2/s.
If the check box Use reduced electron transport properties is activated the units available
are:

• Reduced electron mobility—1/(m.V.s).

• Reduced electron diffusivity—1/(m.s).
• Reduced electron energy mobility—1/(m.V.s).
• Reduced electron energy diffusivity—1/(m.s).

196 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

The available units to set the reduced field as a function of the mean electron energy
are:

• Mean electron energy—mV, V, kV, MV, GJ.

• Reduced electric field—Td, V/m2.

DC ELECTRON MOBILITY
This section is available if the Compute Tensor Electron Transport Properties check
box is selected. Enter a value for the DC electron mobility, μdc (SI unit: m2/(V·s)).

The section is also available when both the Compute Tensor Electron Transport
Properties and the Use Reduced Electron Transport Properties check boxes are
chosen. Then enter a value or expression for the Reduced DC electron mobility, μdcNn
(SI unit: 1/(V·m·s)).

Initial Values
The Initial Values node adds initial values for the electron density and mean electron
energy.

IN IT IA L VA LUES
Enter values or expressions for the initial value of the Initial electron density ne,0
(SI unit: 1/m3) and Initial mean electron energy e0 (SI unit: V). Enter an approximate
guess for the mean electron energy in the reactor. COMSOL Multiphysics
automatically computes the exact mean electron energy after solving but the closer the
guess can be set to the expected value the easier it is to find a solution.

Electron Production Rate

Use the Electron Production Rate node to add sources and sinks to the number density
of electrons. Ionization processes lead to an increase in the number density of
electrons. Similarly, attachment leads to a decrease in the number density of electrons.
A production rate for new electrons can be specified with this feature.

ELECTRON PRODUCTION RATE

Select or enter a value for a Production rate Re (SI unit: 1/m3·s) of new electrons. The
value typically comes from The Heavy Species Transport Interface.

THE DRIFT DIFFUSION INTERFACE | 197

 General Power Deposition
Use the General Power Deposition to add an arbitrary heat source to the electrons.

GENERAL POWER DEPOSITION

Enter a value or expression for the General heat source Q (SI unit: W/m3). This could
be a constant number or come from another physics interface.

Velocity
Use the Velocity node to include the effect of convection due to a moving gas. In nearly
all practical situations, convection of electrons due to gas movement is negligible.

VE L O C I T Y
The Velocity field μ (SI unit: m/s) value or expression can be user-defined or come
from another physics interface, typically Laminar Flow.

Inductive Power Deposition

The Inductive Power Deposition node requires a license for the AC/DC
Module. Use it to add a heat source to the electrons from induction
currents. This is typically used in inductively coupled plasmas.

INDUCTIVE POWER DEPOSITION

3
Enter a Heat source Q (SI unit: W/m ) for the electrons due to induction currents.
Typically this comes from a Magnetic Fields interface.

Microwave Power Deposition

The Microwave Power Deposition node requires a license for the RF

Module. Use it to add microwave heating to the electrons. This is
typically used in wave heated discharges.

MICROWAVE POWER DEPOSITION

3
Enter a Heat source Q (SI unit: W/m ) for the electrons due to electromagnetic waves.
This typically comes from an Electromagnetic Waves interface.

198 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

Insulation
Use the Insulation boundary condition for boundaries that correspond to inlets or
outlets for the background gas and it is the default boundary condition for the Drift
Diffusion interface. It is also available on the Pairs menu. This boundary condition
requires no user input. The boundary condition sets the normal component of the
electron and electron energy flux to zero:

– n ⋅ Γ e = 0 and – n ⋅ Γ ε = 0

Electron Density and Energy

The Electron Density and Energy boundary condition fixes the electron density to a
specific number density or the mean electron energy to a specific energy. It is also
available on the Pairs menu. This boundary condition should, in general, be avoided
in favor of the Wall boundary condition.

n e = n ew and ε = ε 0

Due to the fact that the log of the electron density is solved for, specifying an electron
density of zero is not allowed.

For background theory see The Electron Density and Energy Boundary
Condition.

ELECTRON DENSITY AND ENERGY

Select the Fix electron density check box to enter a value for the Electron density at the
wall new (SI unit: 1/m3).

Select the Fix mean electron energy check box to enter a value for the Mean electron
energy at the wall e (SI unit: V).

Wall
Use the Wall boundary condition when the plasma is in contact with a solid surface.
This also allows for secondary and thermionic emission effects from the solid surfaces.
Use the Wall boundary condition to describe how the electrons interact with the wall

THE DRIFT DIFFUSION INTERFACE | 199

 GEN E RAL WA LL SE TTINGS
Enter a value for the Reflection coefficient re (dimensionless) on the selected
boundaries. This must be a number between 0 and 1.

The Include migration effects check box should be checked if the electron flux to the
wall is due to the electric field. This is usually not the case since the plasma potential is
positive with respect to the walls so the electron flux to the wall due to the electric field
is zero. In models where the electrostatic field changes very rapidly (like with dielectric
barrier discharges for example) the electron flux to the wall can be due to the electric
in which case this option should be activated.

E LE C TRON D E NS IT Y WAL L S ET TI NG S
The Use wall for electron density check box is selected by default and deactivates the
wall boundary condition for the electron density only. When activated, the flux of
electrons lost to the wall is self consistently computed based on the electron
temperature and electron density adjacent to the wall. When this is deactivated, the
flux term is no longer applied for the corresponding equation, and the software will
impose a zero flux boundary condition for that dependent variable.

Select or enter a value for the Secondary emission flux (SI unit: 1/m2·s)). The secondary
emission flux can either be a user-defined expression or come from another physics
interface, typically The Heavy Species Transport Interface.

Select or enter a value for the Thermal emission flux (SI unit: 1/m2·s)). If electrons are
being emitted from the wall due to thermal emission then enter an expression for the
thermionic flux. Typically this only occurs when the wall is at a very high temperature.

E LE C TRON E NE RG Y WA LL SE TTI NG S
The Use wall for electron energy check box is selected by default and deactivates the wall
boundary condition for the electron energy. This is useful in order to use the wall
condition for the electron density but impose the value of the mean electron energy
on the same boundaries.

Select or enter a value for the Secondary emission energy flux, which can either be a
user-defined expression or come from another physics interface, typically The Heavy
Species Transport Interface.

Select or enter a value for the Mean thermionic energy. If electrons are being emitted
from the wall due to thermionic emission then enter an expression for the mean energy

200 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

of the emitted electrons. The mean electron energy of the emitted electrons is usually
a function of the work function of the surface.

For background theory, see The Wall Boundary Condition.

Flux
Use the Flux node to select whether the boundary condition is imposed for electron
density or electron energy or both. The wall boundary condition should be used in
preference to the flux boundary conditions for walls. A user-defined electron Flux can
be specified by the following:

– n ⋅ Γ e = Γ e, in and – n ⋅ Γ ε = Γ ε, in

FLUX
Select the Use flux for electron density check box to activate the boundary condition for
electron density. Then enter a value for the Electron density influx re(SI unit: 1/(m2·s)).

Select the Use flux for electron energy density to activate the boundary condition for
electron energy. Then enter a value for the Electron energy density influx ren
(dimensionless).

Electron Outlet
Use the Electron Outlet boundary condition for boundaries which correspond to
outlets for the background gas. This boundary condition requires no user input. The
boundary condition sets the normal component of the electron and electron energy
flux to zero:

– n ⋅ Γ e = 0 and – n ⋅ Γ ε = 0

THE DRIFT DIFFUSION INTERFACE | 201

 T he o r y f o r the D ri ft D i ffu si on
Interface
The Drift Diffusion Interface theory is described in this section:

• Introduction to Drift Diffusion Theory

• Electron Transport Theory
• Source Coefficients
• Stabilization
• Tensor Transport Properties
• The Wall Boundary Condition
• The Insulation Boundary Condition
• The Electron Density and Energy Boundary Condition
• Reference for the Drift Diffusion Interface

Introduction to Drift Diffusion Theory

In general, electron transport is described by the Boltzmann equation, which is a
non-local continuity equation in phase space (r, u). The Boltzmann equation is an
extremely complicated integrodifferential equation and solving it in an efficient
manner is not currently possible. The Boltzmann equation can be approximated by
fluid equations by multiplying by a weighting function and then integrating over
velocity space. This reduces the governing equations to a three-dimensional,
time-dependent problem. The fluid equations describe the electron number density,
the mean electron momentum and the mean electron energy as a function of
configuration space and time. The rate of change of the electron density is described
by:

∂ n
( ) + ∇ ⋅ Γ e = Re (6-2)
∂t e

where ne is the electron density, Γe is the electron flux vector and Re is either a source
or a sink of electrons. The rate of change of the electron momentum is described by:

∂ n T
( m u ) + ∇ ⋅ n e m e u e u e = – ( ∇ ⋅ p e ) + qn e E – n e m e u e ν m (6-3)
∂t e e e

202 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

where me is the electron mass (SI unit: kg), ue is the drift velocity of the electrons
(SI unit: m/s), pe is the electron pressure tensor (SI unit: Pa), q is the electron change
(SI unit: s A), E is the electric field (SI unit: V/m) and νm is the momentum transfer
frequency (SI unit: 1/s). The rate of change of the electron energy density is described
by:

∂ n
( ) + ∇ ⋅ Γ ε + E ⋅ Γ e = S en (6-4)
∂t ε

where nε is the electron energy density (V/m3) and Sen is the energy loss or gain due
to inelastic collisions (V/m3 s).

The expression for the flux, Γe in Equation 6-2 is derived from the momentum
conservation, Equation 6-3. Under the assumptions that the ionization and
attachment frequencies and also the angular frequency are much less than the
momentum transfer frequency, the first term on the left hand side of Equation 6-3 can
be neglected. Under the assumption that the electron drift velocity is smaller than the
thermal velocity, the second term on the left hand side of Equation 6-3 can also be
neglected. For a Maxwellian distribution the pressure term, pe can be replaced using
the equation of state:

pe = ne kB Te I

where I is the identity matrix and Te is the electron temperature. With these
assumptions an expression for the electron drift velocity can be derived:

kB kB Te q
u e = – --------------- ∇T e – --------------------- ∇n e + --------------- E .
me νm ne me νm me νm

Defining the electron flux as:

Γ e = n e u e = – ( μ e • E )n e – ∇ ( D e n e )

where the electron mobility, μe (SI unit: m2/(V s)) is defined as:

q
μ e = ---------------
me νm

and the electron diffusivity, De (SI unit: m2/s) is defined as:

kB Te
D e = ---------------
me νm

THEORY FOR THE DRIFT DIFFUSION INTERFACE | 203

 The drift-diffusion approximation is suitable when the gas pressure is above about
1 mtorr (0.133 Pa) and the reduced electric field is not too high (typically less than
500 Townsends). Furthermore, the number density of charged species should be much
less than the number density of the background gas. In other words, the discharge
must be weakly ionized. The plasma must also be collisional which means that the
mean free path between electrons and the background gas must be much less than the
characteristic dimension of the system. This means the drift diffusion approximation is
not suitable for modeling fusion plasmas.

The Drift Diffusion interface solves one equation for the electron density and one for
the electron energy density.

The Drift Diffusion interface requires specification of the electron

transport properties which are typically computed using The Boltzmann
Equation, Two-Term Approximation Interface.

Electron Transport Theory

The equation for the electron density is given by

∂ n
( ) + ∇ ⋅ Γ e = R e – ( u ⋅ ∇ )n e (6-5)
∂t e

Γ e = – ( μ e • E )n e – ∇ ( D e n e )

Here (the subscript e refers to an electron:

• ne denotes the electron density (SI unit: 1/m3)

• Re is the electron rate expression (SI unit: 1/(m3·s))
• μe is the electron mobility which is either a scalar or tensor (SI unit: m2/(V·s))
• E is the electric field (SI unit: V/m)
• De is the electron diffusivity which is either a scalar or a tensor (SI unit: m2/s), and
• u is the neutral fluid velocity vector (SI unit: m/s). This usually comes from a
Navier-Stokes interface and in the case of electrons is almost always negligible.

The electron energy density is given by the following equation

∂ n
( ) + ∇ ⋅ Γ ε + E ⋅ Γ e = S en – ( u ⋅ ∇ )n ε + ( Q + Q gen ) ⁄ q (6-6)
∂t ε

204 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

 Γ ε = – ( μ ε • E )n ε – ∇ ( D ε n ε )

where (the subscript ε refers to electron energy):

• nε is the electron energy density (SI unit: V/m3)

• Sen is the energy loss/gain due to inelastic collisions (SI unit: V/(m3·s))
• Q is an external heat source (SI unit: W/m3)
• Qgen is a generalized heat source (SI unit: W/m3)
• με is the electron energy mobility which is either a scalar or a tensor
(SI unit: m2/(V·s))
• E is the electric field (SI unit: V/m), and
• Dε is the electron energy diffusivity (SI unit: m2/s).

The mean electron energy, ε (SI unit: V) is computed through the expression

nε
ε = ----- (6-7)
ne

Because of the high degree of nonlinearity inherent in the drift diffusion equation, the
electron number density can span 10 orders of magnitude over a very small distance.
In this region (the plasma sheath), the difference in the mobility and diffusivity
between the ions and electrons creates a separation of space charge. This in turn
produces a large electric field which can lead to a substantial increase in the mean
electron energy. The best way of handling with this from a numerical point of view is
to solve for the log of the electron number and energy density. This also prevents a
divide by zero from occurring when equation Equation 6-7 is evaluated. So, letting
Ne = ln ne, equation Equation 6-5 becomes

Ne ∂ N N N N
e ( ) + ∇ ⋅ [ – e e ( μ e • E ) – e e ( ∇ ( D e N e ) ) ] = R e – ( u ⋅ ∇ )e e
∂t e

or

n e ∂ ( N e ) + ∇ ⋅ [ – n e ( μ e • E ) – n e ( D e • ∇N e ) – n e ( ∇ • D e ) ] = R e – n e ( u ⋅ ∇ )N e
∂t

similarly, for the electron energy density:

∂ E
nε ( ) + ∇ ⋅ [ – n ε ( μ ε • E ) – n ε ( D ε • ∇E n ) – n ε ( ∇ • D ε ) ] + E ⋅ Γ e = S en – n ε ( u ⋅ ∇ )E n
∂t n

THEORY FOR THE DRIFT DIFFUSION INTERFACE | 205

 The resulting equation system is inherently more stable than the original equation
system. A useful quantity for results and analysis is the electron “temperature”
(SI unit: V) which is defined as:

T e =  --- ε
2
 3

Source Coefficients
The source coefficients in the equations in the Electron Transport Theory section are
determined by the plasma chemistry and are written using either rate or Townsend
coefficients. Suppose that there are M reactions which contribute to the growth or
decay of electron density and P inelastic electron-neutral collisions. In general P >> M.
In the case of rate coefficients, the electron source term is given by

Re =  xj kj Nn ne
j=1

where xj is the mole fraction of the target species for reaction j, kj is the rate coefficient
for reaction j (SI unit: m3/s) and Nn is the total neutral number density
(SI unit: 1/m3). When Townsend coefficients are used, the source term becomes

Re =  xj αj Nn Γe
j=1

where αj is the Townsend coefficient for reaction j (SI unit: m2) and Γe is the electron
flux as defined above (SI unit: 1/(m2·s)). Townsend coefficients can increase the
stability of the numerical scheme when the electron flux is field driven as is the case
with DC discharges.

The electron energy loss is obtained by summing the collisional energy loss over all
reactions:

S en =  xj kj Nn ne Δεj
j=1

where Δεj is the energy loss from reaction j (SI unit: V). In the case of Townsend
coefficients, the energy loss is given by

206 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

 P

S en =  xj αj Nn Γe Δεj
j=1

The energy loss due to inelastic collisions is the most important input parameter in the
Drift Diffusion interface. If this is not correctly defined, severe numerical problems
result.

The rate and Townsend coefficients kj and αj depend exponentially on the mean
electron energy, ε . When a Maxwellian EEDF is assumed, the rate and Townsend
coefficients can be fitted with a function of the form:

β –E ⁄ ε
k j = Aε e

The physics interface does not provide a way of calculating the rate or Townsend
coefficients. The multiphysics interfaces for the most common types of reactor
automatically compute the rate coefficients for each electron impact reaction based on
plasma chemistry.

Stabilization
When the source stabilization is on, additional source terms are added to Equation 6-5
and Equation 6-6. For the electron density, the following source is added:

R e = N A exp ( – ζ ln ( n e ) )

where ζ is the user-defined tuning parameter. When the electron density is very low,
this acts as a source term which prevents the electron density from approaching zero.
As the electron density increases this term becomes exponentially smaller, eventually
becoming negligible for high electron densities. A similar source is added for the
electron energy density:

S en = N A exp ( – ζ ln ( n ε ) )

Tensor Transport Properties

If a strong DC magnetic field is present then the electron mobility can be a tensor:

THEORY FOR THE DRIFT DIFFUSION INTERFACE | 207

 1
-------- – B z B y
μ dc
–1 1
μe = B z -------- – B x
μ dc
1
– B y B x --------
μ dc

where the inverse of the mobility has been used because the actual expression for the
electron mobility cannot be written in a compact form. The quantity μdc is the electron
mobility in the absence of a magnetic field. The electron diffusivity, energy mobility,
and energy diffusivity are then calculated using:

D e = μ e T e, μ ε =  --- μ e, D ε = μ ε T e
5
 3

These equations are exact for a Maxwellian EEDF, a constant momentum transfer
frequency and a constant kinetic pressure.

The Wall Boundary Condition

At the Wall, the exchange of electrons occurs through the following mechanisms:

• Loss of electrons due to a net flux of electrons from the plasma bulk to the wall.
• Loss of electrons due to the random motion of electrons within the mean free path
of the wall.
• Gain of electrons due to secondary emission; a wall emits an electron with some
probability when it is struck by a positive ion.
• Gain of electrons due to thermionic emission.

The resulting equation for the normal component of the electron flux at the wall is
given by:

1 – re 1
n ⋅ Γ e = --------------  --- ν e, th n e –  γi ( Γi ⋅ n ) + Γt ⋅ n (6-8)
1 + re  2 
i

and for the normal component of the electron energy density:

1 – re 5
n ⋅ Γ ε = --------------  --- ν e, th n ε –  γi εi ( Γi ⋅ n ) + εt Γt ⋅ n (6-9)
1 + re  6 
i

208 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

here:

• r is the reflection coefficient (usually 0)

• a is 1 when the electron flux is directed toward the wall and zero otherwise
• νe,th is the thermal velocity (SI unit: m/s)
• nγ is the number density of back scattered electrons (SI unit: 1/m3)
• γp is the secondary emission coefficient from the pth positive ion species
• Γp is the ion flux of the pth positive ion species at the wall (SI unit: 1/(m2·s))
• Γt is the thermal emission flux (SI unit: 1/(m2·s))
• εp is the mean energy of the pth species of emitted electrons (SI unit: V)
• εt is the mean energy of thermally emitted electrons (SI unit: V), and
• n is the outward normal.

The thermal velocity is defined as:

8k b T e
ν e, th = ---------------- .
πm e

When the Include migration effects is activated the first term on the right-hand side of
Equation 6-8 becomes:

1–r
-------------e-  1
--- ν n + n e ( μ e ⋅ E ) ⋅ n
1 + r e  2 e, th e

and the first term on the right-hand side of Equation 6-9 becomes:

1–r
-------------e-  5
--- ν n + n ε ( μ ε ⋅ E ) ⋅ n
1 + r e  6 e, th ε

where E is the electric field on the wall.

The Insulation Boundary Condition

The Insulation boundary condition simply sets the normal component of the electron
and electron energy flux to zero:

n ⋅ Γ e = 0 and n ⋅ Γ ε = 0

THEORY FOR THE DRIFT DIFFUSION INTERFACE | 209

 The Electron Density and Energy Boundary Condition
The Electron Density and Energy boundary condition fixes the electron density to a
specific number density or the mean electron energy to a specific energy. This
boundary condition should, in general, be avoided in favor of the Wall boundary
condition.

n e = n ew and ε = ε 0

Due to the fact that the log of the electron density is solved for, specifying an electron
density of zero is not allowed.

Reference for the Drift Diffusion Interface

1. G.J.M. Hagelaar and L. C. Pitchford, “Solving the Boltzmann equation to obtain
electron transport coefficients and rate coefficients for fluid models”, Plasma Sources
Science and Technology, vol. 14, pp. 722–733, (2005).

2. E. Gogolides and H.H. Sawin, “Continuum modeling of radio-frequency glow

discharges. I. Theory and results for electropositive and electronegative gases”, J.
Appl. Phys., vol. 72, 3971, 1992.

210 | CHAPTER 6: THE DRIFT DIFFUSION INTERFACE

 7

The Heavy Species Transport Interface

This chapter describes the Heavy Species Transport interface, which is a mass
balance interface for all non-electron species. This physics interface also makes it
possible to add electron impact reactions, chemical reactions, surface reactions, and
species, including charged, neutral, and electronically excited species. The physics
interface is found under the Plasma branch ( ).

In this chapter:

• The Heavy Species Transport Interface

• Theory for the Heavy Species Transport Interface

211
 The Heavy Species Transport
Interface
The Heavy Species Transport (hs) interface ( ), found under the Plasma branch ( )
when adding a physics interface, adds electron impact reactions, gas phase reactions,
and species and surface reactions to plasma models. The most convenient way to do
this is to load a set of collision cross sections from a file in the Cross Section Import
section from the Settings window for Heavy Species Transport.

SETTINGS
The Label is the default physics interface name.

The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers, and
underscores (_) are permitted in the Name field. The first character must be a letter.

The default Name (for the first physics interface in the model) is hs.

OUT-OF-PLANE THICKNESS (2D, 2D AXISYMMETRIC , AND 1D)

• For 2D components, enter a Thickness d (SI unit: m). The default is 1 m.
• For 2D axisymmetric components, enter a Vertical height dz (SI unit: m). The
default is 0.01 m.
• For 1D components, enter a Cross-section area A (SI unit: m2). The default is
0.01 m2.

TR A N S P O R T S E T T I N G S
Select a Diffusion model — Mixture-averaged (the default), Fick’s law, or Global. When
using the Mixture-averaged or Global models, the mixture averaged diffusion
coefficients are automatically computed based on the data specified for each species.

The Migration in electric field check box is selected by default. The Migration term is
part of the total mass flux vector. Select the check boxes for other transport
mechanisms to Include—Convection, Calculate thermodynamic properties, Full expression
for diffusivity, or Compute tensor ion transport properties. The selection changes the

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number of Model Inputs requiring values on the Settings window for Diffusion,
Migration. Note the following:

• Convection of heavy species present in a plasma can often be neglected due to the
low operating pressure.
• For Calculate thermodynamic properties select the thermodynamic properties of each
reaction and species are computed automatically based on the thermodynamic
properties of each species.
• For Full expression for diffusivity it computes a more accurate expression for the
binary diffusion coefficients. Often the additional correction terms (the collision
term, ΩD given by Equation 7-17 and used in Equation 7-16) are negligible in
which case the expressions are much simpler and the time taken to assemble the
Jacobian matrix is reduced.
• For Compute tensor ion transport properties the tensor form of the ion transport
properties when a static magnetic field is present are computed. This option only
needs to be activated when a strong DC magnetic field exists and the operating
pressure is very low (on the order of millitorr). When this option is activated an
expression must be provided for the magnetic flux density which would typically be
computed by another physics interface. This is set in the Convection, Migration,
Diffusion feature.

When the Diffusion model is set to Global only the properties Calculate thermodynamic
properties and Full expression for diffusivity are available.

REACTOR
This section is available when the Diffusion model is set to Global. Select a Reactor type
from the list— Closed reactor (the default), Constant mass, or Constant pressure.

• Closed reactor solves a closed system where mass and pressure can change e.g. due
to surface reactions and volume reactions of the associative/dissociative type.
• Constant mass solves a system with mass-flow feed and outlet. The mass-flow outlet
is set to keep the mass-density constant.
• Constant pressure solves a system with mass-flow feed and outlet. The pressure is
kept constant by adjusting the system mass-density if needed.

T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 213
 ELECTRON ENERGY DISTRIBUTION FUNCTION SETTINGS
If cross-section data is used to define source coefficients in the model then an electron
energy distribution function (EEDF) needs to be selected. These options are available.

For more information on the electron energy distribution function

(EEDF), see the Theory for the Boltzmann Equation, Two-Term
Approximation Interface.

• Maxwellian. This option assumes a Maxwellian EEDF which takes the form:
–3 ⁄ 2
f(ε) = ϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where

3⁄2 –5 ⁄ 2 –1
β1 = Γ ( 5 ⁄ 2 ) Γ(3 ⁄ 2 ) , β 2 = Γ ( 5 ⁄ 2 )Γ ( 3 ⁄ 2 )

where ϕ is the mean electron energy (eV), ε is the electron energy (eV) and Γ is the
incomplete gamma function.

• Druyvesteyn. This option assumes a Druyvesteyn EEDF which takes the form:
–3 ⁄ 2 2
f ( ε ) = 2ϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where

3⁄2 –5 ⁄ 2 –1
β1 = Γ ( 5 ⁄ 4 ) Γ(3 ⁄ 4 ) , β 2 = Γ ( 5 ⁄ 4 )Γ ( 3 ⁄ 4 )

• For Generalized, it is a generalized distribution function where the EEDF is

somewhere between Maxwellian and Druyvesteyn. Specify a power law; the number
must be between 1 and 2. Mathematically, the EEDF takes the form:
–3 ⁄ 2 g
f ( ε ) = gϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where

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 3⁄2 –5 ⁄ 2 –1
β 1 = Γ ( 5 ⁄ 2g ) Γ ( 3 ⁄ 2g ) , β 2 = Γ ( 5 ⁄ 2g )Γ ( 3 ⁄ 2g ) , 1 ≤ g ≤ 2

• Function. If a two-dimensional interpolation function has been added to the model,

it can be used for the EEDF. In this case, the x-data should be the electron energy
(eV) and the y-data should be the mean electron energy (eV).

The two-dimensional interpolation function can be computed using a

parametric sweep in The Boltzmann Equation, Two-Term Approximation
Interface. This allows for modeling of discharges where the EEDF is far
from Maxwellian. For step-by-step instructions on how to do this, refer to
this blog entry:
https://www.comsol.com/blogs/the-boltzmann-equation-two-term-ap
proximation-interface/

In all these cases the rate constants in the model are automatically computed based on
the selected EEDF using the formula:

∞
kf = γ 0 εσk ( ε )f ( ε ) dε (7-1)

The rate coefficients when computed using cross section data are a highly nonlinear
function of the mean electron energy. COMSOL Multiphysics automatically computes
the integral in Equation 7-1 and makes the result available for evaluation of the rate
coefficient. The variation of the rate coefficient for any particular model can be plotted
using <name>.kf_<reaction_number>. For example, for reaction number 3 in a
Heavy Species interface, with name hs, the rate coefficient would be plotted using
hs.kf_3.

CHEMKIN IMPORT FOR SPECIES PROPERTY

Import thermodynamic and transport properties for the reacting species into the
model.

STABILIZATION
To display this section, click the Show button ( ) and select Stabilization.

If the Formulation is set to Finite element, log formulation (linear shape function) or Finite
element, log formulation (quadratic shape function) then the solver can run into
difficulties when the species mass fractions approach zero. The Reaction source
stabilization check box (selected by default) adds an additional source term to the rate

T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 215
 expression for each species. In the ι text field, enter a tuning parameter for the source
stabilization. The default value is 1. This value is usually good enough. If the plasma is
high pressure (atmospheric) then it can help to lower this number to somewhere in the
range of 0.25–0.5.

DISCRETIZATION
To display this section, click the Show button ( ) and select Discretization.

Select Formulation — Finite element, log formulation (linear shape function) (the default)
to solve the equations in logarithmic form, Finite element (linear shape function), Finite
element, log formulation (quadratic shape function), or Finite element (quadratic shape
function). The option with log formulation solve for the log of the dependent variables,
ensuring that the mass fraction of any of the species is never lower than zero. This
makes it more numerically stable but increases the nonlinearity of the equation system,
and as such the model might take slightly longer to solve. The linear formulation solves
the equations in the original form.

When the Diffusion model is set to Global the sections Stabilization and Discretization are
not available.

• Stabilization
• Domain, Boundary, and Pair Nodes for the Heavy Species Transport
Interface
• Theory for the Heavy Species Transport Interface
• Interpolation in the COMSOL Multiphysics Reference Manual

Surface Chemistry Tutorial: Application Library path

Plasma_Module/Chemical_Vapor_Deposition/surface_chemistry_tutorial

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Domain, Boundary, and Pair Nodes for the Heavy Species Transport
Interface
The Heavy Species Transport Interface has these domain, boundary, and pair nodes
available from the Physics ribbon toolbar (Windows users), Physics context menu (Mac
or Linux users), or right-click to access the context menu (all users).

In general, to add a node, go to the Physics toolbar, no matter what

operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.

The boundary conditions are available for both charged and neutral
species. Surface reactions can be added to the model—COMSOL
Multiphysics then automatically generates the appropriate expressions for
the fluxes for each species on the boundaries. Boundary conditions do not
need to be applied for a species that comes from the mass constraint
condition.

• Cross Section Import • Reaction

• Diffusion and Migration • Species
• Electron Impact Reaction • Surface Reaction
• Flux • Surface Species
• Inlet • Symmetry
• Outflow

Due to the overwhelming number of species that can exist in a plasma, the
Flux, Inlet, Outflow, and Symmetry boundary condition subnodes are
available from the context menu (right-click the Species parent node) or
from the Physics toolbar, Attributes menu. This simplifies and orders the
process of assigning boundary conditions for a large number of species in
a model.

T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 217
 In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.

Cross Section Import

The Cross Section Import node allows you to import collision cross section data into the
model. The cross section data must be in a specific format. Browse to a file containing
a set of collision cross sections.

The file must follow the format documented in Importing Collision

Cross-Section Data.

Diffusion and Migration

The Diffusion and Migration node sets up the model inputs for the physics interface.
Choose how to define the density of the gas mixture.

The node name changes to Diffusion, Diffusion and Migration, Convection

and Diffusion or Convection, Diffusion, and Migration based on the check
boxes selected in the Transport Settings section. If Global is selected in
Diffusion model the node name changes to Global Model.

MODEL INPUTS
This section has fields and values that are inputs to expressions that define material
properties. If such user-defined property groups are added, the model inputs display
here. Initially, this section is empty. The input depends on which Transport Settings are
selected on The Heavy Species Transport Interface.

• Enter a Temperature T (SI unit: K) for the gas mixture used to compute the gas
density and species transport properties.
• Enter an Absolute pressure pA (SI unit: Pa) to compute the gas density and the
binary diffusion coefficients.

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• When the default Migration in electric field check box is selected, enter an Electric
potential V (SI unit: V). This is used to compute the electric field that results in
migration of any charged species.
• If the Convection check box is selected, enter coordinates for the Velocity field μ
(SI unit: m/s).
• If the Compute tensor electron transport properties check box is selected, enter
coordinates for the Magnetic flux density B (SI unit: T). This usually comes from a
magnetostatic model, and is used to compute anisotropic transport properties for
electrons.

If Global is selected in Diffusion model this section has the following fields:

• Enter the temperature of the background gas in Temperature T (SI unit: K).
• If the Reactor type is set to Closed reactor or Constant mass enter an Initial pressure
p0 (SI unit: Pa). If the Reactor type is set to Constant pressure enter an Absolute
pressure pA (SI unit: Pa).
• Enter an Absolute electron Flux |Γe| (SI unit: 1/(m2.s)) if there are reaction rate
constants defined using Townsend coefficient.

DENSITY
Select an option from the Mixture density list—Ideal gas (the default) or User defined.
For User defined enter a value for ρ (SI unit: kg/m3).

For Ideal gas it computes the expression for the gas density automatically using the
ideal gas law, based on the composition of the mixture. The density is a function of the
mean molecular weight

pA Mn
ρ = ----------------
RT

where pA is the absolute pressure, T is the temperature, R is the universal gas constant,
and Mn is the mean molar mass given by

Q
1- wk
-------
Mn
=  -------
Mk
-
k=1

TO T A L M A S S F L O W

T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 219
 If Global is selected in Diffusion model and the Reactor type is set to Constant mass or
Constant pressure enter the Number of SCCM units for the reactor feed. The Feed mole
fraction of individual species can be set in the Species node ( ).

MEAN ELECTRON ENERGY

If Global is selected in Diffusion model enter the Mean electron energy (unit: V) to
compute the Bohm velocity:

eN a T e
V Bohm, k = ----------------- .
Mk

In the Surface Reaction node ( ) in the section Reaction formula the ion forward rate
constant is set equal to the Bohm velocity if Bohm velocity is selected in Specify reaction
using.

Electron Impact Reaction

The Electron Impact Reaction node ( ) sets up the reaction rate for a reaction
involving an electron and a target species.

REACTION FORMULA
Enter chemical reaction formulas in the Formula text field. The physics interface
examines the species taking part in the reaction and automatically adds the associated
Species features to the Model Builder.

Electron impact reactions are always assumed to be irreversible. However,

the reverse reaction is automatically created if it is specified that a detailed
balance should be constructed in the cross section data file. See
Importing Collision Cross-Section Data.

Entering a Formula

The letter “e” is reserved to represent an electron. Therefore, if a formula

such as e+Ar=>e+Ar+ is entered, the species e is automatically assigned as
an electron.

Valid species names consist of a case-sensitive combination of letters, numbers, and “+”
or “-” signs. With the exception of the “+” and “-” signs, which are used for ions,
special characters are not allowed as species names or part of species names (for

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example, (), [], *, #, and _). In addition, the first character in a species name must be
a letter to avoid confusion with the stoichiometric coefficients in the reaction formula.
Ions are labeled with one plus or minus sign per species charge added directly after the
species name. For example, O++ represents an oxygen atom with a twofold positive
charge; O2+ represents molecular oxygen with a single positive charge; and 2O+
represents two oxygen atoms, each with a single positive charge. This automatically fills
in the charge of the species ion the Charge text field in the associated Species node.

C O L L I S I O N TY P E

This section is available when a valid formula for the electron impact
reaction is entered.

Select a Collision type — Elastic (the default), Excitation, Attachment, or Ionization.

• For Elastic enter a value for the Electron mass ratio mr (dimensionless) (the ratio of
the mass of the electron to the target species).
• Select Excitation for excitation reactions where the collision is inelastic. Enter the
Energy loss Δe (SI unit: V) for the reaction. This is also known as threshold energy
for the reaction. Select this option for electronic excitation, vibrational and
rotational excitation, and superelastic collisions. For superelastic collisions, the
activation energy is negative.
• Select Attachment for collisions which result in the electron attaching to the target
species, forming a negative ion. No user input is required.
• Select Ionization for electron impact reactions which result in secondary electrons
being formed. Enter the Energy loss Δe (SI unit: V) for the reaction. This is also
known as threshold energy for the reaction.

COLLISION

This section is available when a valid formula for the electron impact
reaction is entered.

Specify how to specify the reaction rate constant. There are these options:

• For Cross section data enter cross section data directly into a table for the electron
impact reaction.

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 • For Arrhenius parameters use Arrhenius coefficients to specify the reactions
dependence on the electron “temperature”, Te.
• For Rate constant specify an arbitrary expression for the rate constant. This can be a
numeric value or a complicated function of the electron “temperature”, gas
temperature or any other expression. This is the default option for specifying the
reaction.
• For Use lookup table either enter or load in a lookup table of the source coefficient
versus mean electron energy.

CROSS SECTION DATA

This section is available when a valid formula is entered for the electron
impact reaction and the Specify reaction using option is set to Cross section
data in the Collision section.

By default the electron energy distribution function is taken from the physics interface
property. It can be changed to Maxwellian, Druyvesteyn, or Generalized. In this case, the
selected distribution function is only used in the current electron impact reaction. The
Electron energy in the Collision cross section data table should have units of electronvolts
(eV). The units of the Collision cross section data has units of m2.

If a set of collision cross sections are loaded from a file with the Cross
Section Import node, the software automatically generates the electron
impact collisions and enters the cross section data into the Cross section
data table.

Electron Energy Distribution Function Settings

ARRHENIUS PARAMETERS
For Arrhenius parameters specify the reaction then COMSOL Multiphysics
automatically generates an expression of the form

n
k f = A f T e f exp ( – E f ⁄ T e )

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for the rate constant. Here, Af is the forward frequency factor, nf is the electron
temperature exponent and Ef is the activation energy (eV). The quantity Te is the
electron “temperature” (eV), which is defined as

2
T e = --- ε
3

where ε is the mean electron energy.

KINETIC EXPRESSIONS
If the Specify reaction using option is set to Rate constant then enter in an expression
for the reaction forward rate constant in the Forward rate constant text field. The units
of the rate constant depend on the order of the reaction.
TABLE 7-1: SI UNITS FOR THE RATE CONSTANT FOR DIFFERENT REACTION ORDERS

ORDER EXAMPLE SI UNIT

1 O2s=>O2 1/s
2 O+O2=>O3 m3/(s-mol)
3 3O=>O2+O m6/(s-mol2)

SOURCE COEFFICIENT DATA

If the Specify reaction using option is set to Use lookup table then the Source coefficient
data section appears. Chose between Rate coefficients and Townsend coefficients to
specify the source coefficients. For Rate coefficients either enter in the lookup table or
load in from file a table of mean electron energy (eV) versus rate coefficient (SI unit:
m3/s). For Townsend coefficients enter in or load data from file a table of mean electron
energy (eV) versus Townsend coefficient (SI unit: m2).

Reaction
Use the Reaction node ( ) to enter reversible or irreversible reactions that do not
involve electrons (for example, for gas phase reactions). Enter the Formula for the
reaction into the field and then fill in the appropriate information about the reaction.

DOMAIN SELECTION
COMSOL Multiphysics automatically ensures that the Reaction selection is the same as
the Diffusion and Migration selection.

REACTION FORMULA
See the Reaction Formula settings for the Electron Impact Reaction node.

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 ARRHENIUS PARAMETERS

This section is available when a valid formula for the reaction is entered.

Choose whether or not to use Arrhenius expressions to compute the reaction forward
and reverse rate constants using:

k = AT exp  – -----------
n E
 R g T

To activate the Arrhenius Parameters section and make the kinetic expressions use these
parameters, select the Use Arrhenius expressions check box. In the Arrhenius Parameters
section, A denotes the frequency factor, n the temperature exponent, E the activation
energy (SI unit: J/mol), and Rg the gas constant, 8.314 J/(mol·K). The
pre-exponential factor, including the frequency factor A and the temperature factor
Tn, is given the units (m3/mol)α − 1/s, where α is the order of the reaction (with
respect to the concentrations). Text fields are available for each of the Arrhenius
parameters in the equation above.

KINETIC EXPRESSIONS
Modify the default expressions for the rate constant. This field is only available if the
Use Arrhenius check box is cleared. The units of the rate constant depend on the order
of the reaction.
TABLE 7-2: SI UNITS FOR THE RATE CONSTANT FOR DIFFERENT REACTION ORDERS

ORDER EXAMPLE SI UNIT

1 O2s=>O2 1/s
2 O+O2=>O3 m3/(s·mol)
3 3O=>O2+O m6/(s·mol2)

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Species
Use the Species node ( ) to add additional species to the model even if they do not
participate in any reactions.

Due to the overwhelming number of species that can exist in a plasma, the
Flux, Inlet, Outflow, and Symmetry boundary condition subnodes are
available from the context menu (right-click the Species parent node) or
from the Physics toolbar, Attributes menu. This simplifies and orders the
process of assigning boundary conditions for a large number of species in
a model.

Species are automatically added to the model when reactions are added.

DOMAIN SELECTION
COMSOL Multiphysics automatically ensures that the Species selection is the same as
the Diffusion and Migration selection.

SPECIES FORMULA

Species Name
Enter basic information about the name and nature of the species. When a new species
is created, the Species name field is editable. A valid name for the species must be
entered, for example, o2, Ar, Ar+. After the species name has been entered the text
field cannot be edited (as long as a valid species name is entered).

Species Type
The Species type is either Neutral, Ion, or Electron.

• Enter “e” to automatically create a species as an Electron. The Species node is

renamed to include the name entered in the Species type field. Also enter the
Electron Parameters.
• Enter a neutral species, for example, o2 to automatically create a species as Neutral.
• Enter a charged species, for example, Ar+ or o2- to automatically create a species as
an Ion. The Species node is renamed to include the name entered in the Species type
field. When the species created is an Ion, also select the Initial value from
electroneutrality constraint check box to indicate that the initial mass fraction of this

T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 225
 species is automatically computed based on the initial electron density specified in
the electron species properties. This ensures that the solver can find consistent initial
conditions when starting because the plasma is initially electrically neutral. Also
enter the General Parameters described in the next section.
• If Neutral is selected as the Species type, enter the General Parameters described in
the next section.
For Neutral select the From mass constraint check box to indicate which species
should be used as the mass constraint and therefore not solved for. This is typically
the species with the highest mass fraction. It should not be a species whose mass
fraction is a very small value (as is the case with ionic species).

GENERAL PARAMETERS
This section is available when the Species type under Species Formula selected is Ion or
Neutral. Enter the physical properties of the species. Enter the following properties:

• Preset species data. The default value is User defined which means that the transport
properties are computed from the values given in the text fields below. There is
preset transport data available for the most common gases encountered in plasma
processing. Selecting one of these gases fills in the correct values for the species
transport properties automatically.
• Molecular weight Mw (SI unit: kg/mol) of the species. The default value for the
molecular weight is 0.032. The molecular weight must be a nonzero number.
• Charge z (dimensionless) number of the species. The charge number is automatically
computed from the formula specified via either a reaction or by manually creating a
species.
• Potential characteristic length σ (SI unit: m). The potential characteristic length is
used to compute the binary diffusion coefficients used in the Mixture-Averaged
transport setting.
• Potential energy minimum e/kb (SI unit: m). This is used to compute the binary
diffusion coefficients.
• Dipole moment μD (SI unit: C·m). If the dipole moment is known, enter its value
and obtain a more accurate expression for the binary diffusion coefficients.
• Thermal diffusion coefficient DT (SI unit: m2/s). If thermophoretic effects are
important in the model then enter a value for the thermal diffusion coefficient.
• If Neutral is selected as the Species type, enter an Initial mole fraction x0
(dimensionless). Set the initial mole fraction of the selected species in the gas
mixture. If the From mass constraint check box is selected, this field is not available.

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• If Ion is selected as the Species type, enter an Initial number density n0
(dimensionless) to set the initial number density of the selected species in the gas
mixture. If the Initial condition from electroneutrality constraint check box is
selected, this field is not available.
• Diffusion coefficient Df (SI unit: m2/s). If the Diffusion model property is set to Fick’s
law then the diffusion coefficient is not computed automatically from the transport
properties, its value is taken from this text field.

• If Global is selected in Diffusion model, if the Reactor type is set to Constant pressure
or Constant mass, and if Ion is not selected as the Species type enter an Feed mole
fraction xfeed (dimensionless) to set the mole fraction of the selected species in the
feed.

ELECTRON PARAMETERS
This section is available when the Species type under Species Formula selected is
Electron. Enter the physical properties of the species. Enter the following properties:

• Electron density ne (SI unit: 1/m3).

• Mean electron energy e (SI unit: V).
• Initial electron density ne,0 (SI unit: 1/m3).

SPECIES THERMODYNAMIC PARAMETERS

This section is available if the Calculate thermodynamic properties is check box is
selected under Transport Settings on the Heavy Species Transport interface.

Enter thermodynamic properties for the species using the NASA polynomial format.
Any coefficients for the thermodynamic polynomials are entered into the alow,k fields
and apply to the temperatures in the range Tint/lower to Tint/midpoint; coefficients
entered into the ahi,k fields apply to temperatures in the range Tint/midpoint to
Tint/upper range.

• Enter the Lower temperature limit Tlo, Middle temperature limit Tmid, and Upper
temperature limit Thi. The defaults are 300 K, 1000 K, and 5000 K, respectively.
• Enter the Polynomial coefficients alow,k and ahi,k.
• Enter an Additional enthalpy contribution Δh (SI unit: V) as required.

MOBILITY AND DIFFUSIVITY EXPRESSIONS

This section is available when the Species type selected under Species Formula is Ion. The
default specification is to compute the diffusivity and mobility from the binary
diffusion coefficients and Einstein’s relation.

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 Select a Specification — Compute mobility and diffusivity or Specify mobility, compute
diffusivity.

The Mobility is computed using Einstein’s relation by default. If Mixture averaged is

selected as the Diffusion model under Transport Settings on the Heavy Species
Transport interface, then the mobility is computed using:

Dm q
μ = ------------
kB T

and if the Fick’s law property is selected, then the mobility is defined as:

Df q
μ = -----------
kB T

Select an Ion temperature — Use gas temperature or Specify ion temperature. For Specify
ion temperature enter an Ion temperature Tion (SI unit: K). The default is 300 K.

MOBILITY SPECIFICATION
This section is available if Specify mobility, compute diffusivity is selected under Mobility
and Diffusivity Expressions.

Select an option from the Specify using list — Constant value, Dalgarno, High field or
Lookup table.

• For Constant value enter a value or expression for the Mobility um

(SI unit: m2/(V·s)). This can be a function of any of the variables in the model.
• For Dalgarno enter a value or expression for the Polarizability α (SI unit: m3). The
default values is 1.64 Å3.
• For High Field enter a value or expression for the Cross section σ (SI unit: m2). The
default value is 7x10-19 m2.
• For Lookup table the mobility is then a function of the electric field. Select an option
from the Mobility a function of list—Electric field or Reduced electric field. Enter values
into the table or click the Load from file button ( ) to import data from a text file.
The file must contain the two columns of data, the Electric field (SI unit: V/m) or
the Reduced electric field (SI unit: V·m2) as the x-data and the ion mobility (SI unit:
m2/(V·s)) or reduced ion mobility (SI unit: 1/(V·m·s)) as the y-data.
The Diffusivity is computed using Einstein’s relation by default.

In Ion temperature a third option is available when Specify mobility, compute diffusivity
is selected under Mobility and Diffusivity Expressions: Use local field approximation. Select

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Use local field approximation to automatically compute the ion temperature using the
local field approximation. The local field approximation can be useful for high pressure
discharges where the electric field is very high, as is the case for dielectric barrier
discharges.

Surface Reaction
The Surface Reaction node ( ) sets up reactions involving gas phase, surface, and
bulk species on surfaces. Surface reactions play an important role in the overall
characteristics of a discharge. This typically involves first-order reactions on surfaces
where excited or ionic species transition back to their ground state.

REACTION FORMULA
The first thing to input after creating a new reaction is the Reaction Formula. The
reaction can only be irreversible. Valid species names consist of a case-sensitive
combination of letters, numbers, and “+” or “-” signs. With the exception of the “+”
and “-” signs, which are used for ions, special characters are not allowed as species
names or part of species names (for example, [], *, #, and _). In addition, the first
character in a species name must be a letter to avoid confusion with the stoichiometric
coefficients in the reaction formula. Ions are labeled with one plus or minus sign per
species charge added directly after the species name.

For surface reactions, use the notation (s) to denote surface species or (b)
to denote bulk species. This is bulk surface species, not to be confused
with gas phase species. The species is then called name _surf or
name_bulk depending on the species type. For example, using Si(s) in
the reaction formula creates a surface species with the name Si_surf and
Si(b) creates a surface species with the name Si_bulk.

Under Specify reaction using select whether to specify the surface reaction using Sticking
coefficient or Rate coefficient. Sticking coefficients are typically easy to estimate
intuitively and must be between 0 and 1. Rate coefficients require specification of a rate
constant, which can be obtained in the appropriate literature.

Under Motz-Wise correction select whether to include this correction in the expression
for the rate constant. This option is only available when the reaction is specified using
sticking coefficients. When the Motz-Wise correction is set to On, Equation 7-19 is used
to compute the rate constant. When set to Off, Equation 7-20 is used.

T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 229
 Only irreversible surface reactions are supported.

If Global is selected in Diffusion model the surface reaction can also be specified using
sticking coefficient and diffusion, and if Ion is selected as the Species type the surface
reaction can be specified using Bohm velocity. In the Reaction Parameters section enter
a Correction factor to correct the surface area were the reaction occurs.

ARRHENIUS PARAMETERS

This section is available when a valid formula for the surface reaction is
entered.

Choose whether or not to use Arrhenius expressions to compute the sticking

coefficients. When this option is activated, the expression for the sticking coefficient is
automatically computed using:

γ = aT exp  – -----------
b e
 R g T

where a is the frequency factor, b is the temperature exponent, and e is the activation
energy (SI unit: J/mol).

KINETIC EXPRESSIONS
Enter the Forward sticking coefficient for the surface reaction. The option is available if
the Use Arrhenius expressions check box is not selected.

Surface Species
The Surface Species ( ) node adds detailed surface chemistry to the model. The
species can either be surface species (for example, Si(s)) or bulk species (for example,
Si(b)). This is usually generated by default when a formula for a surface reaction is
entered.

SPECIES FORMULA
Enter a formula for the surface species. The symbols (s) and (b) are reserved to denote
surface species or bulk species, respectively. So, to create a silicon surface species simply
type Si(s). To create a silicon bulk species type Si(b). COMSOL Multiphysics
automatically renames the species to a valid name, for example Si_surf or Si_bulk.

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GENERAL PARAMETERS
Enter the molecular weight (SI unit: kg/mol) of the surface or bulk species. The
default value is User defined, which means that the surface species properties are
computed from the values given in the text fields below. There is preset transport data
available for some of the typical surface species encountered in plasma processing.
Selecting one of these fills in the correct values for the molecular weight and
thermodynamic properties automatically.

SURFACE SPECIES PARAMETERS

If the species is a surface species then this section is available.

• Enter the Site occupancy number σ (dimensionless) of the species. The default value
is 1. This accounts for the fact that larger molecules can occupy more than one active
site on a surface.
• Enter the Initial density of surface sites Γn,0 (SI unit: mol/m2) of the species. The
default value is 1.95E−5. This surface site concentration remains constant, with this
initial value if every surface species has the same site occupancy number.
• The Initial site fraction Zk,0 (dimensionless) is the initial fraction of the total sites
which is occupied by the species. This must be a number between 0 and 1.

BULK SPECIES PARAMETERS

If the species is a bulk species then enter the density (SI unit: kg/m3). The default
value is 2329 kg/m3 corresponding to the density of silicon.

Flux
Due to the overwhelming number of species which can exist in a plasma, the Flux
boundary condition subnode is available from the context menu (right-click the
Species parent node) or from the Physics toolbar, Attributes menu. This simplifies and
orders the process of assigning boundary conditions for a large number of species in a
model.

The Flux subnode prescribes the mass flux of the selected species on selected
boundaries. A user-defined normal flux is available via the equation:

– n ⋅ ρw k ( V k + u ) = Γ k

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 Inlet
Due to the overwhelming number of species that can exist in a plasma, the Inlet
boundary condition subnode is available from the context menu (right-click the
Species parent node) or from the Physics toolbar, Attributes menu. This simplifies and
orders the process of assigning boundary conditions for a large number of species in a
model.

The Inlet subnode adds a boundary condition for an inflow boundary, where a
condition for all species is specified. The condition can be specified using these
quantities:

• The mass fraction: ω = ω0.

• The mole fraction: x = x0.
• The molar concentration (SI unit: mol/m3) c = c0.
• The number density, which describes the number of particles per volume
(SI unit: 1/m3): n = n0.

A concentration quantity other than the mass fractions can only be used when all
species are defined, as in the Inlet condition. The other quantities are composition
dependent and therefore unambiguous only when all species are defined.

INLET
Select the type of input from the Mixture specification list:

• Select Mass fraction (the default) to enter mass fractions (ω0, ω1, for example).
• Select Mole fraction to enter mole fractions (x0, ω1, for example).
• Select Molar concentration to enter molar concentrations (c0, ω1, for example).
• Select Number density to enter number densities (n0, ω1, for example).

Type the value or expression in the text fields for each species except the one computed
from the mass constraint.

When using the Logarithmic form of the equations, setting a zero value
for any of the options listed above results in an error when attempting to
solve. To avoid the solver taking log(0) a positive, nonzero value must
be entered.

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Outflow
Due to the overwhelming number of species that can exist in a plasma, the Outflow
boundary condition subnode is available from the context menu (right-click the
Species parent node) or from the Physics toolbar, Attributes menu. This simplifies and
orders the process of assigning boundary conditions for a large number of species in a
model.

The Outflow subnode is used on boundaries where the species mass is to be transported
out of the model domain.

If an imaginary slice is drawn through the cross section of a geometry, then there is no
net flux across the slice due to diffusion, since diffusion corresponds to random motion
of the atoms and molecules. There can, however, be a net flux due to convection,
migration or thermophoresis, but outlet boundary conditions for temperature and
electric field also impose zero gradient. An appropriate “open” boundary condition is
to set the normal component of the diffusive flux to zero, which implies that diffusive
transport of flux across the imaginary slice is zero. The boundary condition becomes:

–n ⋅ jk = 0

which assumes that all mass passing through the boundary is due to convection.

Symmetry
Due to the overwhelming number of species that can exist in a plasma, the Symmetry
boundary condition subnode is available from the context menu (right-click the
Species parent node) or from the Physics toolbar, Attributes menu. This simplifies and
orders the process of assigning boundary conditions for a large number of species in a
model.

The Symmetry subnode is used on all boundaries where the selected species mass
fraction is symmetric. This is identical to the No Flux boundary condition. The
symmetry boundary imposes a zero flux boundary condition.

T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 233
 Theory for the Heavy Species
Transport Interface
The Heavy Species Transport Interface theory is described in this section:

• About the Transport Equations • Scaling

• Multicomponent Diffusion • Stabilization
Equations • Surface Reactions
• Additional Quantities of Interest • Flux Matching
• Auxiliary Relations • About Surface Species
• Source Coefficients • Limitations of the Heavy Species
• Thermodynamic Properties Transport Equations
• Species Transport Properties • References for the Heavy Species
• Mixture Transport Properties Transport Interface

• Global Model

About the Transport Equations

There are a number of different formulations available for modeling mass transport,
ranging from a simple reaction, convection, diffusion equation to the Maxwell-Stefan
(sometimes called Stefan-Maxwell) equations. The Maxwell-Stefan equations are the
only formulation that conserves the total mass in the system and also satisfies a number
of auxiliary constraints. The main drawback of the Maxwell-Stefan equations is the
amount of computational resources needed to solve them. In many situations,
simplified forms of the Maxwell Stefan equations can be applied, which do not
rigorously satisfy the laws of multicomponent diffusion but are much easier to
implement and consume less computational resources.

Neutral and excited species in a plasma require a suitable transport equation. Typically
the concentration of excited species is very low and they can be considered dilute. This
is true with atomic gases, where the concentration of ions and electronically excited
species is much lower than the concentration of the ground state atoms. Molecular
gases can dissociate into stable neutral fragments via electron impact dissociation.
These fragments can have a long lifetime and accumulate inside a reactor. In this case,

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the dilute approximation is no longer valid and a more rigorous description of the mass
transport is necessary. Conservation of mass dictates that the sum of the mass fractions
of all the species must equal one. The most accurate technique is to solve the
Maxwell-Stefan equations which correctly take into account diffusive transport due to
mole fraction, pressure and temperature gradients. The Maxwell-Stefan equations
quickly become computationally very expensive when the number of species becomes
large (>6). In a plasma, there might be 20+ neutral and excited species, so solving the
full Maxwell-Stefan equations is not practical.

The Heavy Species Transport interface provides two different Diffusion models to
choose from, Mixture averaged and Fick’s law. The Mixture averaged option fulfills all
the criteria for mass conservation. It is much less computationally expensive to solve
than the full Maxwell-Stefan equations, which are not available in the Heavy Species
Transport interface. The Fick’s law option uses an even simpler diffusion model, which
is less accurate than the Mixture averaged model, but is computationally less expensive.

Multicomponent Diffusion Equations

Suppose a reacting flow consists of k = 1, …, Q species and j = 1, …, N reactions. The
equation for the first Q − 1 species is given by

ρ ∂ ( w k ) + ρ ( u ⋅ ∇ )w k = ∇ ⋅ j k + R k (7-2)
∂t

where:

• jk is the diffusive flux vector

• Rk is the rate expression for species k (SI unit: kg/(m3·s))
• u is the mass averaged fluid velocity vector (SI unit: m/s)
• ρ denotes the density of the mixture (SI unit: kg/m3), and
• wk is the mass fraction of the kth species (1).

The diffusive flux vector is defined as:

j k = ρw k V k

where and Vk is the multicomponent diffusion velocity for species k. The definition of
Vk depends on the option chosen for the Diffusion Model property. If Mixture
Averaged is chosen then:

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 ∇w k ∇M n T ∇T
V k = D k, m ------------ + D k, m ------------- + D k -------- – z k μ k, m E
wk Mn T

where

• Dk,m is the mixture averaged diffusion coefficient (SI unit: m2/s)

• Mn is the mean molar mass of the mixture (SI unit: kg/mol)
• T is the gas temperature (SI unit: K)
T
• D k is the thermal diffusion coefficient for species k (SI unit: kg/(m·s))
• zk is the charge number for species k (SI unit: dimensionless)
• μk,m is the mixture averaged mobility for species k (SI unit: m2/(V·s))
• E is the electric field (SI unit: V/m)
The mixture averaged diffusion coefficient, Dk,m for species k is defined as:

1 – wk
D k, m = --------------------------
Q
- (7-3)

 xj ⁄ Dkj
j≠k

The mean molar mass, Mn is computed using the sum of the mass fractions and
molecular weights of all species:

Q
1- wk
-------
Mn
=  -------
Mk
-.
k=1

The mole fraction for species k, which is required in Equation 7-3 can be computed
from the mass fraction of species k and the mean molar mass:

wk
x k = -------- M n .
Mk

The quantity, Dkj is the binary diffusion coefficient between species k and j and are
rather complicated functions of the physical properties of the species. They are defined
later, in Equation 7-12.

By default, the mixture averaged mobility, μk,m is computed using Einstein’s relation:

qD k, m
μ k, m = -----------------
kB T

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where q is the unit charge (SI unit: s A) and kB is Boltzmann’s constant (SI unit: J/K).

If the Diffusion Model is changed to Fick’s law then the diffusion coefficient must be
given as an input for each species. In this case, the diffusion velocity is defined as:

∇w k ∇M n T ∇T
V k = D k, f ------------ + D k, f ------------- + D k -------- – z k μ k, f E
wk Mn T

where Dk,f is the user-defined diffusion coefficient for species k. The mobility for
species k is then given by:

qD k, f
μ k, f = --------------- .
kB T

This approach is much less computationally expensive than the Mixture averaged
model since the diffusion coefficients are not computed from the complicated
expression in Equation 7-3.

For ions, the mobility can be specified in Mobility Specification through an arbitrary
expression, a lookup table as a function of the electric field, or through the Dalgarno
or High field mobility models.

When Dalgarno Ref. 8 is selected in the Mobility Specification section the ion mobility
is computed as:

0,0438 N 0
μ m, f = ------------------ -------
α mr Nn

where α is the background atom polarizability in Å3, N0 = 2.69x1025 m−3 is the gas
number density at 273.15o K and 760 Torr, and mr is the reduced mass

Mn Mk
m r = ----------------------- .
Mn + Mk

Dalgarno's mobility corresponds to the polarizability limit of the classical Langevin

theory Ref. 9. This mobility model gives reasonable values for alkali ions in Ar, Kr, Xe,
N2 and H2. This model should not be used in the case resonant charge exchange
contributes significantly to the ion transport as it occurs in ions drifting in the parent
gas. Moreover, Dalgarno’s mobility is only valid for small electric field strengths that
ensure that the ion thermal velocity is much larger than the ion drift velocity. Note that
the ion mobility and ion drift velocity are, respectively, independent and directly
proportional to the electric field.

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 When High field is selected in the Mobility Specification section the ion mobility is
computed as:

2q z
μ m, f = --------------------------------
-
Mk
π -------
- N σ E
NA n

where σ is a cross section characterizing the ion-atom interaction (SI unit: m2). This
model is valid when the electric field is high enough to ensures that the ion drift
velocity is much larger than the ion thermal velocity Ref. 8. With this model the ion
drift velocity is proportional to E ⁄ N n as is frequently found in experiments in the
high field limit.

By default, the mixture averaged diffusivity Dk,m (and Fick’s law diffusivity Dk,f ) are
computed using Einstein’s relation:

kB T
D k, m = ----------- μ k, m .
q

There is also the option to use the Local Field Approximation. The local field
approximation can be used to compute the ion temperature and thus the diffusivity
through Einstein’s relation, see Ref. 7 and Ref. 10. The ion temperature is computed
using:

Mk + Mn Mn
T i = T +  ------------------------------- -------- ( μ ⋅ E ) ⋅ ( μ ⋅ E )
 5M k + 3M n k b

where Mk is the ion mass (SI unit: kg), T is the background gas temperature
(SI unit: K), Mn is the mean mass of the mixture (SI unit: kg), and E is the electric
field (SI unit: V/m). If the High field mobility model is used the background gas
temperature is neglected and the ion temperature is computed as

Mk + Mn Mn
T i =  ------------------------------- -------- ( μ ⋅ E ) ⋅ ( μ ⋅ E ) .
 5M k + 3M n k b

Additional Quantities of Interest

The Heavy Species Transport interface also defines a number of additional variables for
quantities which are typically of interest during results processing. The number density
of species k is given by

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 n k =  ----------- x k
p
 k B T

where p (SI unit: Pa) is the absolute pressure of the fluid. The molar concentration of
species k is given by

wk ρ
c k = ----------- ;
Mk

The density of the mixture is given by the ideal gas law by default:

pM n
ρ = ------------
RT

where R is the universal gas constant (SI unit: J/(mol·K)).

A useful quantity in systems where large thermal gradients exist (that is, chemical vapor
deposition processes) is the thermal drift velocity (SI unit: m/s), which is defined as

T T
v = D k ∇ ln T

Auxiliary Relations
Only Q − 1 of the Maxwell-Stefan equations are independent and so a closure law is
required. One way of ensuring a unique solution is the use the fact that the sum of the
diffusive fluxes must be zero:

 ρwk Vk = 0 (7-4)
k=1

An alternative is to use the fact that the sum of the mass fractions must be equal to one:

Q–1

wQ = 1 –  wk (7-5)
k=1

In the Heavy Species Transport interface, Equation 7-5 is used to fulfill the mass
constraint so only Q − 1 species are solved for.

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 Source Coefficients
The rate expression, Rk is determined by the stoichiometry of the system through the
formula

Rk = Mk  υkj rj (7-6)
j=1

where νkj is the stoichiometric matrix and rj is the reaction rate corresponding to
reaction j. The reaction rates depend on the order of the reaction and the molar
concentration of each species. In compact form, the equation for the jth reaction rate is

Q Q
′ ″
ν ν
∏ c k kj ∏ ck
kj
r j = k f, j – k r, j
k=1 k=1

where:

• ck is the molar concentration of species k (SI unit: mol/m3)

• kf,j is the rate coefficient for the jth forward reaction (SI unit: 1/s for first order
reactions, m3/(mol·s) for second order reactions or m6/(mol2·s) for third order
reactions)
• ν'kj is the stoichiometric matrix corresponding to forward reactions, and
• ν''kj is the stoichiometric matrix corresponding to reverse reactions.

The molar concentration of the kth species is computed via:

wk ρ
c k = ----------- .
Mk

The rate coefficients kj depend exponentially on the gas temperature through

Arrhenius law

Ej
k j = A j T j exp  – --------
β
 RT

where Aj is the frequency factor for reaction j, β is the temperature exponent and Ej is
the activation energy for reaction j.

240 | C H A P T E R 7 : T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E
Thermodynamic Properties
The species’ heat capacity, Cp, the molar enthalpy, h, and the molar entropy, s, are
computed using the polynomial format of Gordon and McBride (Ref. 1). This manual
also refers to these expressions as NASA polynomials:

2 3 4
C p, i = R g ( a 1 + a 2 T + a 3 T + a 4 T + a 5 T ) (7-7)

a2 2 a3 3 a4 4 a5 5
h i = R g  a 1 T + ------ T + ------ T + ------ T + ------ T + a 6 (7-8)
2 3 4 5

a3 2 a4 3 a5 4
s i = R g  a 1 ln T + a 2 T + ------ T + ------ T + ------ T + a 7 (7-9)
 2 3 4 

Here, Cp,i denotes the species’ heat capacity (SI unit: J/(mol·K)), T the temperature
(SI unit: K), and Rg the ideal gas constant, 8.314 J/(mol·K). Further, hi is the species’
molar enthalpy (SI unit: J/mol), and si represents its molar entropy
(SI unit: J/(mol·K)), at standard state.

The thermodynamic properties for a given reaction are computed from the enthalpy
and entropy of the participating species. The enthalpy of reaction (SI unit: J/mol) is
calculated using:

Hj =  νij hi (7-10)
i

Similarly, the entropy of reaction (SI unit: J/(mol·K)) comes from the relationship

Sj =  νij si (7-11)
i

In these equations, hi and si are the species’ molar enthalpy (SI unit: J/mol) and
entropy (SI unit: J/(mol·K)), respectively. The heat source of reaction
(SI unit: J/(m3·s)) is given as:

Qj = –Hj rj

The sum of Qj over all reactions is the total heat source due to chemical reaction:

Q =  Qj
j

T H E O R Y F O R T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 241
 Species Transport Properties
The diffusion coefficients are computed from the following expression based on
kinetic gas theory:

3 3
–2 T ( M k + M j ) ⁄ ( 2 ⋅ 10 M k M j )
D kj = 2.66 ⋅ 10 ⋅ --------------------------------------------------------------------------------- (7-12)
pσ k σ j Ω D

Here:

• Dkj is the binary diffusion coefficient (SI unit: m2/s)

• M equals the molecular weight (SI unit: kg/mol)
• T represents the temperature (SI unit: K)
• p is the pressure (SI unit: Pa), and
• σ equals the characteristic length (SI unit: Å) of the Lennard-Jones/Stockmayer
potential.
• In addition, ΩD is the collision integral, given by the following equation (Ref. 2 and
Ref. 3):
–B
Ω D = A ( T∗ ) + C [ exp ( – DT∗ ) ] + E [ exp ( – FT∗ ) ]
2 (7-13)
0.19δ kj
+ G [ exp ( – HT∗ ) ] + -------------------
T∗

where

T
T∗ = k b -------
ε kj

1⁄2
ε kj = ( ε k ε j )

1⁄2
δ kj = ( δ k δ j )

1⁄2
σ kj = ( σ k σ j )

2
1μ
δ = --- --------3- (7-14)
2 εσ

242 | C H A P T E R 7 : T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E
In Equation 7-14, μ is the species dipole moment (SI unit: Debye). For gases at
moderate pressure, the binary diffusivity can be used for the multicomponent
Maxwell-Stefan diffusivities.

The predefined expression for the dynamic viscosity is given by the kinetic gas theory
(Ref. 2 and Ref. 3) as

3
T ( M i ⋅ 10 )
– 6 ----------------------------------
μ i = 2.669 ⋅ 10 2
(7-15)
σi Ωv

Here μ represents the dynamic viscosity (SI unit: N·s/m2), and Ωv is the collision
integral, given by

2
–B 0.20δ
Ω v = A ( T∗ ) + C [ exp ( – DT∗ ) ] + E [ exp ( – FT∗ ) ] + -----------------
T∗

with

T
T∗ = k ----
ε

2
1μ
δ = --- --------3- (7-16)
2 εσ

In Equation 7-16, μ is the species dipole moment (SI unit: Debye). The predefined
expression for thermal conductivity comes from the Stiel-Thodos equation (Ref. 4)

η
k = ----- ( 1.15C p + 0.88R g ) (7-17)
M

where the thermal conductivity k is in (SI unit: W/(m·K)). Here Cp denotes the heat
capacity (SI unit: J/(mol·K)).

Mixture Transport Properties

The transport properties of the mixture are computed using the following for specific
heat capacity (SI unit: J/(kg·K))

T H E O R Y F O R T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 243
  xi Cp, i
i
c p mix = -------------------------
-

xi Mi
i

The thermal conductivity (SI unit: W/(m·K)) is computed using:

1  x  –1
k mix = ---
2  xi ki + 
  -----i
k i
i=1 i=1

In these equations:

• T is the temperature (SI unit: K)

• x is the mole fraction
• M is the molecular weight (SI unit: kg/mol)
• cp is the heat capacity per unit mass (SI unit: J/(kg·K))
• Cp represents the heat capacity per mole (SI unit: J/(mol·K)), and
• k is the thermal conductivity (SI unit: W/(m·K)).

The dynamic viscosity (SI unit: N·s/m2) is computed using:

xi μi
μ fluid =  ----------------------
i = 1  x j φ ij
j=1

where

η i 0.5 M j 0.25 2
1 +  -----  -------
 η j  M i
φ ij = ---------------------------------------------------------
-
M i 0.5
8  1 + -------
 M j

In these equations μ denotes the dynamic viscosity (SI unit: Ns/m2).

Scaling
Because there can be a large variation in mass fraction of the components of a plasma,
a logarithmic scaling of the equations is sometimes necessary. So, starting with the
equation for a generalized mass transport template

244 | C H A P T E R 7 : T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E
 ρ ∂ ( w k ) + ρ ( u ⋅ ∇ )w k = ∇ ⋅ ρw k V k + R k (7-18)
∂t

and letting Wk = ln wk, Equation 7-18 becomes

∂ W
ρw k ( ) + ρw k ( u ⋅ ∇ )W k = ∇ ⋅ [ ρw k V k ] + R k
∂t k

The first term on the right-hand side depends on which formulation is used. For the
Mixture averaged diffusion model:

T
V k = D k, m ∇W k + D k, m ∇ ln M + D ∇ ln T – Z k μ k, m E

and for the Fick’s law diffusion model:

T
V k = D k, f ∇W k + D k, f ∇ ln M + D ∇ ln T – Z k μ k, f E .

You can switch between the standard and logarithmic formulations of the mass balance
equation. In this module the default implementation is logarithmic.

Stabilization
When the source stabilization is on, an additional term is added to the rate expression,
Equation 7-6. The expression takes the form:

R k, tot = R k + exp ( – ι ln ( n k ) )

where ι is the user-defined tuning parameter. When the species number density is very
low, this acts as a source term which prevents the mass fraction from approaching zero.
As the number density increases this term becomes exponentially smaller, eventually
becoming negligible for high number densities.

Surface Reactions
The equations solved for the transport for each species need to be supplemented by
appropriate boundary conditions. This is often accomplished by way of a set of suitable
surface reactions, which describe how species are created or consumed on surfaces.
Assume a surface mechanism with I surface reactions and K chemical species

T H E O R Y F O R T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 245
 K K

 ν ki
f c
k ⇔  νkir ck
k=1 k=1

where νki are the stoichiometric coefficients and ck is the concentration of the kth
species. The surface rate expression (SI unit: mol/(m2·s)) for species k is defined as

R surf, k =  νki qi
i=1

where νki = νrki − νfki. The rate of progress of the ith reaction is governed by the law
of mass action:

K K

∏ c kν ki – k r, i ∏ ckν
f r
q i = k f, i ki

k=1 k=1

where the following definitions apply for ck.

Gas Phase Species

The molar concentration is given by:

wk ρ
c k = -----------
Mk

where wk is the mass fraction of species k, ρ is the gas density, and Mk is the molecular
weight of species k. When the Motz-Wise correction option is set to On, the forward
rate constant is related to the sticking coefficients via:

γi
k f, i =  -------------------- ------------------
1 -1 --- -----------
8RT
- (7-19)
 1 – γ i ⁄ 2 ( Γ ) m  4 πM
tot n

When the Motz-Wise correction option is set to Off, the forward rate constant is given
via:

γ i  1 8RT
k f, i = ------------------
- --- ------------ . (7-20)
( Γ tot ) m  4 πM n

where Γtot is the total surface site concentration (SI unit: mol/m2). The sticking
coefficient can be a constant or even temperature dependent through an Arrhenius
expression:

246 | C H A P T E R 7 : T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E
 ei
γ i = a i T b i exp  – --------
 RT

where a, b, and e are constants. Since γ is a probability it must be between 0 and 1 to

be physically meaningful.

Flux Matching
Flux matching must be performed for each species in order for the total molar mass in
the system to be conserved. If a model also contains a physics interface to compute the
fluid velocity and pressure (the Laminar Flow interface for example) and the gas
temperature (the Heat Transfer in Fluids interface for example) then those physics
interfaces require appropriate flux matching boundary conditions. The Heavy Species
Transport interface automatically computes flux matching variables for the total mass
flux and heat source of reaction on surfaces.

Surface Chemistry Tutorial: Application Library path

Plasma_Module/Chemical_Vapor_Deposition/surface_chemistry_tutorial

FLUX MATCHING FOR EACH SPECIES

The inward mass flux for species k on a reacting surface is given by:

n ⋅ j k = M k R surf, k (7-21)

This is the natural boundary condition for Equation 7-3 and results in either an
inwards or outward mass flux for species k, depending on the surface chemical
mechanism stoichiometry. If the species is an ion, then there is an additional flux
contribution due to migration. In this case, Equation 7-21 becomes:

n ⋅ j k = M k R surf, k + M k c k μ m, k z k ( n ⋅ E ) [ ( z k n ⋅ E ) > 0 ]

This additional flux contribution ensures that when the normal electric field is directed
to the wall, there is an outflux of ions due to migration.

FLUX MATCHING FOR THE TOTAL MASS FLUX

If a model contains the Laminar Flow interface, an expression for the mass averaged
velocity is needed on reacting surfaces. The Heavy Species Transport interface creates
an appropriate variable for the inward mass flux, which can be accepted as a feature

T H E O R Y F O R T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 247
 input for the Mass Flow option in the Inlet boundary condition of the Laminar Flow
interface.

The inward mass flux, Mf is defined as:

Kg

Mf =  Mk Rsurf, k
k=1

where Rsurf,k is the surface rate expression for each species which comes from summing
the surface reaction rates multiplied by their stoichiometric coefficients over all surface
reactions:

R surf, k =  νki qi .
i=1

F L U X M A T C H I N G F O R T H E T O T A L H E AT F L U X
If a model contains the Heat Transfer in Fluids interface, an expression for the total
heat source of reactions is needed. The Heavy Species Transport interface creates an
appropriate variable for the total heat source of reactions, which can be accepted as a
feature input in the Reaction Heat Flux boundary condition of the Heat Transfer in
Fluids interface.

The total heat source due to reactions is defined as:

Qb =  qi hi
i=1

where hi is the molar enthalpy change due to reaction i. Depending on the surface
chemical mechanism stoichiometry, this can either cause heating (exothermic) or
cooling (endothermic).

About Surface Species

For each of the k Surface Species the following equations are solved:

N
dΓ k
dt
=  qi Δσi
i=1

248 | C H A P T E R 7 : T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E
where Γk is the surface site concentration (SI unit: mol/m2), qi is the reaction rate for
reaction i (SI unit: mol/m2), and Δσi is the change in site occupancy number for
reaction i (dimensionless).

dZ k R surf, k
= ----------------
dt Γ tot

where Zk is the site fraction (dimensionless), and Rsurf,k is the surface rate expression
(SI unit: mol/m2). The quantity Zk is the surface equivalent of the mole fraction on
the volumetric level. That is, the sum of the site fractions must always equal one:

 Zk = 1.

For each of the bulk surface species, the following equation is solved for the deposition
height:

dh k R surf, k M k
= – -------------------------
dt ρk

where hk is the total growth height (SI unit: m), Mk is the molecular weight (SI unit:
kg/mol), and ρ is the density of the bulk species (SI unit: kg/m3).

Limitations of the Heavy Species Transport Equations

Before continuing, some comments on the validity of the equations are necessary.
Despite their relatively complicated form, the equations for transport of the heavy
species are formulated under the following assumptions:

• The diffusion velocity must be much less than the thermal velocity; that is, Vk << vk.
In the case of very low pressure CCP reactors, the ion drift velocity can approach or
exceed the ion thermal velocity. In this case, the heavy species transport equations
fail to fit the physics of the discharge.
• A single temperature is assumed for heavy species. In the case of reactors with high
reduced electric fields, the ions can have a different temperature than the
surrounding gas.

Global Model
If the Diffusion Model property is set to Global, the model equations solved are greatly
simplified because the spatial information of the different quantities in the plasma

T H E O R Y F O R T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 249
 reactor are treated as volume-averaged. Without the spatial derivatives the numerical
solution of the equation set becomes considerably simpler and the computational time
is greatly reduced. This type of model is useful when investigating a broad region of
parameters with complex plasma chemistries.

To avoid unnecessary complexity in the notation the same symbols which were used
to represent the space-dependent quantities are used to represent the volume-averaged
quantities. In the following the different densities, mass fractions and other quantities
are to be thought as volume-averaged.

For a mixture consisting of k = 1, …, Q species and j = 1, …, N reactions the

mass-fraction balance equations for the first Q − 1 species is given by

Vρ d ( w k ) = m f w f, k – m o w k + VR k +
dt  hl Al Rsurf, k, l Mk – wk  hl Al Mf, l
l l

where:

• mf is the total feed mass-flow rate (SI unit: kg/s)

• mo is the outlet mass-flow rate (SI unit: kg/s)
• wf,k is the mass fraction of species kth in the feed (1)
• hl is a correction factor of surface l (1)
• Al is the area of surface l (SI unit: m2)
• V is the reactor volume (SI unit: m3),
• Rsurf,k,l is the surface rate expression of surface l (SI unit: mol/(m2·s)).
• Mf,l is the inward mass flux of surface l (SI unit: kg/(m2·s)).
The sum in the last two terms is over surfaces were species are lost or created. The
fourth term on the right hand side accounts for surface reactions of species kth. The
last term on the right hand side is introduced because the species mass-balance
equations are written in the non-conservative form and it is used the mass-continuity
equation to replace for the mass density time derivative.

To take into account possible variations of the system total mass or pressure the
mass-continuity equation can also be solved

dρ
V
dt
= mf – mo +  h l A l M f, l . (7-22)
l

250 | C H A P T E R 7 : T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E
CLOSED REACTOR
In the Reactor property it is possible to choose three different types of reactor models.
If the Reactor Type is set to Closed Reactor the mass-flow feeds are set to zero

mf = mo = 0 (7-23)

and Equation 7-22 is solved to take into account possible mass changes in the system
caused by surface reactions.

CONSTANT MASS
If the Reactor Type is set to Constant Mass the outlet mass-flow is set such that the feed
and surface reactions can not change the mass of the system

mo = mf +  h l A l M f, l (7-24)
l

and the pressure in the reactor is found in order to keep the mass-density constant

dρ
= 0. (7-25)
dt

CONSTANT PRESSURE
If in the Reactor property the Reactor Type is set to Constant Pressure Equation 7-22 is
not solved and the outlet mass-flow feed is set such that the mass feed and surface
reactions can not change the mass of the system

mo = mf +  h l A l M f, l . (7-26)
l

This condition ensures that the feed and surface reactions can not change the mass
density. However, the mass density can still change as a result of a change in the mean
molar mass of the gas mixture in order to maintain a constant pressure.

GLOBAL MODEL SURFACE REACTIONS

A large part of a successful implementation of a plasma global modal depends on how
the surface losses are estimates. For positive ions the forward rate constant can be
estimate to be equal to the Bohm velocity

eN a T e
k f, i = ----------------- (7-27)
Mk

T H E O R Y F O R T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 251
 where Te is the electron temperature (V).

For neutral species the forward rate constant can be estimated by

1- 1 1
-------- = --------- + ----------- (7-28)
k f, i k γ, i k D, i

D k, m V
k D, i = ------------- ------ . (7-29)
Λ eff A l
2

When the Motz-Wise correction option is set to On

γi
k γ, i =  -------------------- ------------------
1  1 8RT
- --- ------------ (7-30)
 1 – γ i ⁄ 2 ( Γ ) m  4 πM
tot n

and when the Motz-Wise correction option is set to Off, the forward rate constant is
given via:

γ i  1 8RT
k γ, i = ------------------
- --- ------------ . (7-31)
( Γ tot ) m  4 πM n

Equation 7-29 is an estimation of the diffusive losses to the wall, where Λeff is the
effective diffusion length, and Dk.m is the mixture-average diffusion coefficient of
species k.

Surface reactions can be adjusted using the Correction factor hl. It is common practice
to correct the surface ion losses by a factor that takes into account the spatial profile of
the ions. Models for the ion correction factor can be found in literature Ref. 11 and
Ref. 12.

References for the Heavy Species Transport Interface

1. S. Gordon and B.J. McBride, Computer Program for Calculation of Complex
Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected
Shocks, and Chapman-Jouquet Detonations, NASA-SP-273, 1971.

2. P.D. Neufeld, A.R. Janzen, and R.A. Aziz, “Empirical Equations to Calculate 16 of
the Transport Collision Integrals Ω (l, s)* for the Lennard-Jones (12–6) Potential”, J.
Chem. Phys., vol. 57, p. 1100, 1972.

3. R.S. Brokaw, “Predicting Transport Properties of Dilute Gases”, Ind. Eng. Process
Design Develop., vol. 8, p. 240–253, 1969.

252 | C H A P T E R 7 : T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E
4. L.I. Stiel and G. Thodos, “The Viscosity of Polar Substances in the Dense Gaseous
and Liquid Regions”, AIChE J., vol. 10, p. 26, 1964.

5. R.J. Kee, M.E. Coltrin, and P. Glarborg, Chemically Reacting Flow Theory and
Practice, Wiley, 2003.

6. R.B. Bird, W.E. Stewart, and E.N. Lightfoot, Transport Phenomena, John Wiley
& Sons, 2002.

7. G.J.M. Hagelaar, Modeling Of Microdischarges for Display Technology, PhD

thesis, Universiteitsdrukkerij Technische Universiteit Eindhoven, 2000.

8. B. M. Smirnov, Theory of Gas Discharge Plasma, Springer 2015.

9. E. W. McDaniel, Collision Phenomena in Ionazed Gases, John Wiley and Sons, 1964.

10. H. W. Ellis, R. Y. Pai, E. W. McDaniel, E. A. Mason, and L. A. Viehland,

“Transport Properties of Gaseous Ions Over a Wide Energy Range”, Atomic Data and
Nuclear Data tables, vol. 17, p. 177–210, 1976.

11. M.A. Lieberman and A.J. Lichtenberg, Principles of Plasma Discharges and
Materials Processing, John Wiley & Sons, 2005.

12. E. G. Thorsteinsoon, and J. T. Gudmundsson, “A global (volume averaged) model

of a chlorine discharge,” Plasma Sources Sci. Technol., vol. 19, p. 015001 (15pp),
2010.

T H E O R Y F O R T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E | 253
254 | C H A P T E R 7 : T H E H E A V Y S P E C I E S TR A N S P O R T I N T E R F A C E
 8

Plasma Interfaces

This chapter describes the Plasma Module interfaces found under the Plasma
branch ( ).

In this chapter:

• The Plasma Interface

• The Inductively Coupled Plasma Interface
• The Microwave Plasma Interface
• Plasma Reactors Theory
• Capacitively Coupled Plasmas
• DC Discharges
• Theory for Inductively Coupled Plasmas

• Theory for Microwave Plasmas

• Theory for Global Models

255
 The Plasma Interface
The Plasma (plas) interface ( ), found under the Plasma branch ( ) couples the
Drift Diffusion, Heavy Species Transport, and Electrostatics interfaces into an
integrated multiphysics interface to model capacitively coupled plasmas (CCP) and
DC discharges.

When this physics interface is added, these default nodes are also added to the Model
Builder: Plasma Model, Zero Charge, Insulation, and Initial Values. Then, from the Physics
toolbar, add other nodes that implement, for example, boundary conditions and
velocity. You can also right-click Plasma to select physics features from the context
menu.

Except where described in this section, this physics interface shares it

physics nodes with The Drift Diffusion Interface, The Heavy Species
Transport Interface, and The Electrostatics Interface.

SETTINGS
The Label is the default physics interface name.

The Name is used primarily as a scope prefix for variables defined by the physics
interface. Refer to such physics interface variables in expressions using the pattern
<name>.<variable_name>. In order to distinguish between variables belonging to
different physics interfaces, the name string must be unique. Only letters, numbers, and
underscores (_) are permitted in the Name field. The first character must be a letter.

The default Name (for the first physics interface in the model) is plas.

OUT-OF-PLANE THICKNESS (2D, 2D AXISYMMETRIC , AND 1D)

• For 2D components, enter a Thickness d (SI unit: m). The default is 1 m.
• For 2D axisymmetric components, enter a Vertical height dz (SI unit: m). The
default is 0.01 m.
• For 1D components, enter a Cross-section area A (SI unit: m2). The default is
0.01 m2.

256 | CHAPTER 8: PLASMA INTERFACES

TR A N S P O R T S E T T I N G S
Select a Diffusion model — Mixture-averaged (the default), Fick’s law, or Global. When
using the Mixture-averaged or Global models, the mixture averaged diffusion
coefficients are automatically computed based on the data specified for each species.

Select the check boxes for which transport mechanisms to Include—Convection,

Migration in electric field, Calculate thermodynamic properties, Full expression for
diffusivity, or Compute tensor ion transport properties. The selection changes the
number of Model Inputs requiring values on the Plasma Model page. Note the
following:

• The Migration term is part of the relative mass flux vector.

• Convection of heavy species present in a plasma can often be neglected due to the
low operating pressure.
• For Calculate thermodynamic properties select that the thermodynamic properties of
each reaction and species are computed automatically based on the thermodynamic
properties of each species.
• For Full expression for diffusivity it computes a more accurate expression for the
Maxwell-Stefan diffusivities. Often the additional correction terms are negligible in
which case the expressions are much simpler and the time taken to assemble the
Jacobian matrix is reduced.
• For Compute tensor ion transport properties the tensor form of the ion transport
properties when a static magnetic field is present is computed. This option only
needs to be activated when a strong DC magnetic field exists and the operating
pressure is very low (on the order of millitorr). When this option is activated an
expression must be provided for the magnetic flux density, which typically another
physics interface computes. This is set in the Plasma Model node.

When the Diffusion model is set to Global only the properties Calculate thermodynamic
properties and Full expression for diffusivity are available.

PLASMA PROPERTIES
Select the Compute tensor electron transport properties or Use reduced electron
transport properties, or Include thermal diffusion check boxes as needed and select the
model for the Mean electron energy—Local energy approximation (default), Local field
approximation or Fix mean electron energy.

When the Diffusion model is set to Global only the check boxes Compute tensor electron
transport properties and Include thermal diffusion are not available.

THE PLASMA INTERFACE | 257

 Compute Tensor Electron Transport Properties

Select Compute tensor electron transport properties to compute the tensor form of the
electron mobility, electron diffusivity, energy mobility and energy diffusivity. This
should only be used in cases where a strong DC magnetic field exists. Two quantities
must be supplied, both of which are in the Plasma Model node. The DC mobility
which is the value of the electron mobility in the absence of a DC magnetic field and
the magnetic flux density which would typically be computed by another physics
interface.

Use Reduced Electron Transport Properties

Select Use reduced electron transport properties to specify the electron mobility,
diffusivity, energy mobility and energy diffusivity in reduced form. The neutral number
density is then specified in the Drift Diffusion Model node. The electron transport
properties are computed from the reduced transport properties using:

μ red
μ e = ----------
Nn

where Nn is the user-defined neutral number density.

Include Thermal Diffusion

The Include thermal diffusion check box adds an additional term to the definition of the
electron current due to gradients in the electron diffusivity. If the diffusivity is a
constant then including this does not effect the solution. It is only necessary to include
this term if the electron diffusivity is a function of the electron temperature, and there
are significant gradients in the electron temperature.

Mean Electron Energy

Select Local energy approximation (default) to solve the mean electron energy equation
self-consistently with the continuity, momentum and Poisson's equation, and to use
the mean electron energy to parametrize transport and source coefficients. This is the
most numerical demanding option to find the mean electron energy because of the
strong coupling between the mean electron energy and the electromagnetic fields.

If Local field approximation is selected it is assumed that transport and source

coefficients are well parametrized through the reduced electric field (E/Nn). The
relation between the reduced electric field and the mean electron energy needs to be
provided in the section Mean Electron Energy Specification in the Plasma Model node.
When using the local field approximation the fluid equation for the mean electron

258 | CHAPTER 8: PLASMA INTERFACES

energy is not solved, which reduces significantly the complexity of the numerical
problem. The local field approximation is valid in a situation where the rate of electron
energy gain from the electric field is locally balanced by the energy loss rate. When this
condition is met the electrons are said to be in local equilibrium with the electric field
and the electron mean properties can be expressed as a function of the reduced electric
field.

Select Fix mean electron energy to fix the mean electron energy to its initial value. This
can be useful in some situations because the strong coupling between the mean
electron energy and the electromagnetic fields is removed. This allows for non-self
consistent models to be created quickly, since problems where the mean electron
energy is fixed are easier to solve numerically.

REACTOR
This section is available when the Diffusion model is set to Global. Select a Reactor type—
Closed reactor (the default), Constant mass, or Constant pressure.

• Closed reactor solves a closed system where mass and pressure can change e.g. due
to surface reactions and volume reactions of the associative/dissociative type.
• Constant mass solves a system with mass-flow feed and outlet. The mass-flow outlet
is set to keep the mass-density constant.
• Constant pressure solves a system with mass-flow feed and outlet. The pressure is
kept constant by adjusting the system mass-density if needed.

For more information on the electron energy distribution function

(EEDF), see the Theory for the Boltzmann Equation, Two-Term
Approximation Interface.

ELECTRON ENERGY DISTRIBUTION FUNCTION

If cross section data is used to define source coefficients in the model then an electron
energy distribution function (EEDF) needs to be selected. Select one of these options.

• Maxwellian. This option assumes a Maxwellian EEDF which takes the form:
–3 ⁄ 2
f(ε) = ϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where

3⁄2 –5 ⁄ 2 –1
β1 = Γ ( 5 ⁄ 2 ) Γ(3 ⁄ 2) , β 2 = Γ ( 5 ⁄ 2 )Γ ( 3 ⁄ 2 )

THE PLASMA INTERFACE | 259

 where ϕ is the mean electron energy (SI unit: eV), ε is the electron energy
(SI unit: eV) and Γ is the incomplete gamma function:

u
s – 1 –u
Γ(s) = e du .
0

• Druyvesteyn. This option assumes a Druyvesteyn EEDF which takes the form:
–3 ⁄ 2 2
f ( ε ) = 2ϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where

3⁄2 –5 ⁄ 2 –1
β1 = Γ ( 5 ⁄ 4 ) Γ(3 ⁄ 4 ) , β 2 = Γ ( 5 ⁄ 4 )Γ ( 3 ⁄ 4 )

• Generalized. Use this option for a generalized distribution function where the EEDF
is somewhere between Maxwellian and Druyvesteyn. For this option, specify a
power law. This number must be between 1 and 2. Mathematically, the EEDF takes
the form:
–3 ⁄ 2 g
f ( ε ) = gϕ β 1 exp ( – ( εβ 2 ⁄ ϕ ) )

where
3⁄2 –5 ⁄ 2 –1
β 1 = Γ ( 5 ⁄ 2g ) Γ ( 3 ⁄ 2g ) , β 2 = Γ ( 5 ⁄ 2g )Γ ( 3 ⁄ 2g ) , 1 ≤ g ≤ 2

• Function. If a two-dimensional interpolation function has been added to the model,

it can be used for the EEDF. In this case, the x-data should be the electron energy
(eV) and the y-data should be the mean electron energy (eV).

The two-dimensional interpolation function can be computed using a

parametric sweep in The Boltzmann Equation, Two-Term Approximation
Interface. This allows for modeling of discharges where the EEDF is far
from Maxwellian. For step-by-step instructions on how to do this, refer to
this blog entry:
https://www.comsol.com/blogs/the-boltzmann-equation-two-term-ap
proximation-interface/

See Interpolation in the COMSOL Multiphysics Reference Manual.

260 | CHAPTER 8: PLASMA INTERFACES

In all these cases the rate constants in the model are automatically computed based on
the selected EEDF using the formula:

∞
kf = γ 0 εσk ( ε )f ( ε ) dε . (8-1)

The rate coefficients when computed using cross section data are a highly nonlinear
function of the mean electron energy. COMSOL Multiphysics automatically computes
the integral in Equation 8-1 and makes the result available for evaluation of the rate
coefficient. The variation of the rate coefficient for any particular model can be plotted
using <name>.kf_<reaction number>. For example, for reaction number 3 in the
Plasma interface, with name plas, the rate coefficient is plotted using plas.kf_3.

CHEMKIN IMPORT FOR SPECIES PROPERTY

Import thermodynamic and transport properties for the reacting species into the
model.

The thermodynamic and transport input files must follow the

CHEMKIN® standard.

STABILIZATION
To display this section, click the Show button ( ) and select Stabilization.

If the Equation formulation is set to Log then the solver can run into difficulties as the
species mass fractions approach zero. The Reaction source stabilization check box
(selected by default) adds an additional source term to the rate expression for each
species. In the ι field, enter a tuning parameter for the source stabilization. The default
value is 1. This value is usually good enough. If the plasma is high pressure
(atmospheric) then it can help to lower this number to somewhere in the range of
0.25–0.5.

The solver can also run into difficulties as the electron density or electron energy
density approach zero. The Source stabilization check box (selected by default) adds an
additional source term to the equation for the electron density and electron energy
density. In the ζ field, enter a tuning parameter for the source stabilization. The default
value is 1. This value is usually good enough. If the plasma is high pressure
(atmospheric) then it can help to lower this number to somewhere in the range of
0.25–0.5.

THE PLASMA INTERFACE | 261

 DISCRETIZATION
To display this section, click the Show button ( ) and select Discretization.

Select Formulation — Finite Volume (constant shape function), Finite element, log
formulation (linear shape function) (the default), Finite element (linear shape function),
Finite element, log formulation (quadratic shape function), or Finite element (quadratic
shape function). The finite element options use the Galerkin method to discretize the
equations whereas the Finite Volume (constant shape function) option creates degrees of
freedom for the dependent variables which are piecewise constant within each mesh
element. For the charged species, Scharfetter–Gummel upwinding is used. For charge
neutral species and the electrostatic field, a centered difference scheme is used. In cases
where the ion and electron flux are strongly driven by the electric field, the Finite
Volume (constant shape function) option can be more stable. Examples where this is true
include dielectric barrier and corona discharges.

The options with log formulation solve for the log of the dependent variables, ensuring
that the mass fraction of any of the species is never lower than zero. This makes it more
numerically stable but increases the nonlinearity of the equation system, and as such
the model might take slightly longer to solve.

When the Diffusion model is set to Global the sections Stabilization and Discretization are
not available.

DEPENDENT VARIABLES
The dependent variables (field variables) are the Electron potential, Log of electron
density, and Log of electron energy density. The name can be changed but the names of
fields and dependent variables must be unique within a model.

• Domain, Boundary, Edge, Point, and Pair Nodes for the Plasma
Interface
• Plasma Reactors Theory and Capacitively Coupled Plasmas
• Stabilization
• Interpolation in the COMSOL Multiphysics Reference Manual

262 | CHAPTER 8: PLASMA INTERFACES

 • GEC CCP Reactor, Argon Chemistry, 1D: Application Library path
Plasma_Module/Capacitively_Coupled_Plasmas/argon_gec_ccp_1d
• Harmonic Content of the Power Deposition into a Dual Frequency
Capacitively Coupled Plasma: Application Library path
Plasma_Module/Capacitively_Coupled_Plasmas/harmonic_content
• DC Glow Discharge: Application Library path
Plasma_Module/Direct_Current_Discharges/positive_column_2d

Domain, Boundary, Edge, Point, and Pair Nodes for the Plasma
Interface
The Plasma Interface has these domain, boundary, edge, point, and pair nodes, listed
in alphabetical order, available from the Physics ribbon toolbar (Windows users),
Physics context menu (Mac or Linux users), or right-click to access the context menu
(all users).

In general, to add a node, go to the Physics toolbar, no matter what

operating system you are using. Subnodes are available by clicking the
parent node and selecting it from the Attributes menu.

In the COMSOL Multiphysics Reference Manual see Table 2-3 for links
to common sections and Table 2-4 to common feature nodes. You can
also search for information: press F1 to open the Help window or Ctrl+F1
to open the Documentation window.

These nodes are described in this section:

• Plasma Model
• Initial Values

THE PLASMA INTERFACE | 263

 These nodes are described for the Drift Diffusion or Heavy Species Transport interface
(listed in alphabetical order):

• Cross Section Import • Insulation

• Electron Density and Energy • Reaction
• Electron Impact Reaction • Species
• Electron Outlet • Surface Reaction
• Electron Production Rate • Surface Species
• Flux • Velocity
• General Power Deposition • Wall

These nodes are described for the Electrostatics interface (listed in alphabetical order):

• Dielectric Contact • Metal Contact

• Dielectric Shielding • Periodic Condition
• Distributed Capacitance • Point Charge
• Electric Displacement Field • Surface Charge Accumulation
• Electric Potential • Surface Charge Density
• Electrostatic Point Dipole • Terminal
• Floating Potential • Thin Low Permittivity Gap
• Ground • Zero Charge
• Line Charge

Plasma Model
Use the Plasma Model node to set the electron transport properties, material properties,
and model inputs.

MODEL INPUTS
This section has fields and values that are inputs to expressions that define material
properties. If such user-defined property groups are added, the model inputs display
here. Initially, this section is empty. The input depends on which Transport Settings are
selected in the Plasma interface.

264 | CHAPTER 8: PLASMA INTERFACES

• Enter a Temperature T (SI unit: K) for the gas mixture used to compute the gas
density and species transport properties.
• Enter an Absolute pressure pA (SI unit: Pa) to compute the gas density and the
Maxwell-Stefan diffusivities.
• If the Convection check box is selected, enter coordinates for the Velocity field u
(SI unit: m/s).
• If the Compute tensor electron transport properties or the Compute tensor ion
transport properties property is activated enter an expression for the Magnetic flux
density B (SI unit: T). This usually comes from a magnetostatic model, and is used
to compute anisotropic transport properties for electrons and ions.
If Global is selected in Diffusion model this section has the following fields:

• Enter the temperature of the background gas in Temperature T (SI unit: K).
• If the Reactor type is set to Closed reactor or Constant mass enter an Initial pressure
p0 (SI unit: Pa). If the Reactor type is set to Constant pressure enter an Absolute
pressure pA (SI unit: Pa).
• Enter an Absolute electron Flux |Γe| (SI unit: 1/(m2.s)) if there are reaction rate
constants defined using Townsend coefficient.

ELECTRON DENSITY AND ENERGY

Select an option from the Electron transport properties list—Specify mobility only (the
default), From electron impact reactions, Specify all, or Use lookup tables. The options
available depend on whether the Use reduced electron transport properties physics
interface property is checked. If the physics interface property Compute tensor
electron transport properties is checked then only one field appears for the DC or
reduced DC electron mobility, μdcNn. The other transport properties are computed
using Einstein’s relation.

Tensor Transport Properties

• For Specify mobility only enter a value or expression for the Electron mobility μe (SI
unit: m2/(V·s)). Select Isotropic, Diagonal, Symmetric or Anisotropic based on the
model. The electron diffusivity, energy mobility and energy diffusivity are
automatically computed using Einstein’s relation for a Maxwellian EEDF:

THE PLASMA INTERFACE | 265

 D e = μ e T e, μ ε =  --- μ e, D ε = μ ε T e
5
(8-2)
 3

For Use reduced electron transport properties enter the Reduced electron mobility
μeNn (SI unit: 1/(V·m·s)). The actual electron mobility is then computed by
dividing the reduced electron mobility by the neutral number density.
• With From electron impact reactions the electron mobility is computed from
e
μ e = ----------- (8-3)
me ν

where ν is the total electron collision frequency computed from

M
1
ν = ----
ce  rj (8-4)
j=1

where rj (unit: mol/(m3·s)) is a reaction rate, ce (unit: mol/m3) is the electron molar
concentration, and the sum is over all electron impact collisions, The electron
diffusivity, energy mobility and energy diffusivity are automatically computed using
Einstein’s relation for a Maxwellian EEDF:

D e = μ e T e, μ ε =  --- μ e, D ε = μ ε T e
5
(8-5)
3

• For Specify all enter values or expressions for all of the properties, which can be
either scalars or tensors. The appropriate values for the transport properties can be
computed with The Boltzmann Equation, Two-Term Approximation Interface. For
all of the properties, select Isotropic, Diagonal, Symmetric or Anisotropic from the list
based on the model, then enter values or expressions for all of these properties:
- Electron mobility μe (SI unit: m2/(V·s))
- Electron diffusivity De (SI unit: m2/s)
- Electron energy diffusivity Den (SI unit: m2/s)
- Electron energy mobility μen (SI unit: m2/(V·s))

For Use reduced electron transport properties enter:

- Reduced electron mobility μeNn (SI unit: 1/(V·m·s))
- Reduced electron diffusivity DeNn (SI unit: 1/(m·s))
- Reduced electron energy diffusivity DenNn (SI unit: 1/(m·s))
- Reduced electron energy diffusivity μenNn (SI unit: 1/(V·m·s))

266 | CHAPTER 8: PLASMA INTERFACES

• For Use lookup tables enter or load a lookup table with the transport properties as
listed above versus mean electron energy (eV).

For the Use reduced electron transport properties physics interface

property, the appropriate values for the transport properties can be
computed with The Boltzmann Equation, Two-Term Approximation
Interface and written out to a text file. The text file can then be loaded in
for each electron transport property.

MEAN ELECTRON ENERGY SPECIFICATION

This section is available when the Mean electron energy is set to Local field
approximation. Select how to provide the relation between the reduce electric field and
the mean electron energy from the Specify using list—Expression or Use lookup table.

If Global is selected in Diffusion model enter an Electric potential V (SI unit: V) used to
compute the reduced electric field.

UNITS

The units of lookup tables used in the Plasma Model node can be chosen in this section
from predefined lists. This section is available if Electron transport properties is set to
Use lookup tables in the section Electron Density and Energy, or if Specify using is set to
Use lookup table in the section Mean Electron Energy Specification. Select the units from
the following lists:

• Mean electron energy—mV, V, kV, MV, GJ.

• Electron mobility—m2/(V.s), cm2/(V.s).
• Electron diffusivity—m2/s, cm2/s.
• Electron energy mobility—m2/(V.s), cm2/(V.s).
• Electron energy diffusivity—m2/s, cm2/s.
If the check box Use reduced electron transport properties is activated the units available
are:

• Reduced electron mobility—1/(m.V.s).

• Reduced electron diffusivity—1/(m.s).
• Reduced electron energy mobility—1/(m.V.s).
• Reduced electron energy diffusivity—1/(m.s).
The available units to set the reduced field as a function of the mean electron energy
are:

THE PLASMA INTERFACE | 267

 • Mean electron energy—mV, V, kV, MV, GJ.
• Reduced electric field—Td, V/m2.

DENSITY
Select an option from the Mixture density list—Ideal gas or User defined. For User
defined enter a value for ρ (SI unit: kg/m3).

For Ideal gas it computes the expression for the gas density automatically using the
ideal gas law, based on the composition of the mixture. The density is a function of the
mean molecular weight:

pA M
ρ = ------------
RT

where pA is the absolute pressure, T is the temperature, R is the universal gas constant
and M is the mean molecular weight given by:

Q
1- wk
----
M
=  -------
Mk
-
k=1

TO T A L M A S S F L O W

If Global is selected in Diffusion model and the Reactor type is set to Constant mass or
Constant pressure enter the Number of SCCM units for the reactor feed. The Feed mole
fraction of individual species can be set in the Species node ( ).

MEAN ELECTRON ENERGY

This section is available if Global is selected in Diffusion model and Mean electron energy
is set to Local energy approximation or Fix mean electron energy. If Fix mean electron
energy is selected enter the Mean electron energy ε (unit: V). If Local energy
approximation is selected:

• Enter the Power absorbed Pabs (SI unit: W) by the plasma.

• The Mean kinetic energy lost per electron lost εe (unit: V).
• The Mean kinetic energy lost per ion lost εi (unit: V).
• The Initial mean electron energy ε0 (unit: V).

268 | CHAPTER 8: PLASMA INTERFACES

Initial Values
Use the Initial Values node to set the initial values of the electron density, mean electron
energy, and electric potential.

Initial conditions for the heavy species are specified on the individual
species features.

IN IT IA L VA LUES
Enter values or expressions for each of the following:

• Initial electron density ne,0 (SI unit: 1/m3). This value represents some initial seed
electrons in the plasma. If this number is too low then the plasma might not sustain
itself. If this number is too high then numerical instabilities can arise at early time
steps.
• Initial mean electron energy e0 (SI unit: V). Enter an approximate guess for the mean
electron energy in the reactor. COMSOL Multiphysics automatically computes the
exact mean electron energy after solving but the closer the guess is set to the
expected value the easier it is to find a solution.
• Electric potential V (SI unit: V). In nearly all cases the value should be zero. This
initial value must also be consistent with any boundary conditions on the electric
potential in the model.

When the Diffusion model is set to Global the initial values are set in the Plasma Model
node.

THE PLASMA INTERFACE | 269

 The Inductively Coupled Plasma
Interface
The Inductively Coupled Plasma interface is used to study discharges that are sustained
by induction currents. The induction currents are solved for in the frequency domain.
The electron heating due to the induction currents is automatically handled by the
software. This physics interface is available for 2D and 2D axisymmetric components.

With an AC/DC Module license, this physics interface is also available in

3D. This also enables additional features that are available with the
AC/DC Module, and described in the AC/DC Module User’s Guide.

When a predefined Inductively Coupled Plasma interface ( ) is added from the Plasma
branch ( ) of the Model Wizard or Add Physics windows, Plasma and Magnetic Fields
interfaces are added to the Model Builder. In addition, the Multiphysics node is added,
which automatically includes the multiphysics coupling features Plasma Conductivity
Coupling and Electron Heat Source.

When the Plasma physics interface is added, these default nodes are also added to the
Model Builder—Plasma Model, Zero Charge, Insulation, and Initial Values. Then, from the
Physics toolbar, add other nodes that implement, for example, the plasma chemistry
and boundary conditions.

When the Magnetic Fields interface is added, these default nodes are also added to the
Model Builder—Ampère’s Law, Magnetic Insulation, and Initial Values. Then, from the
Physics toolbar, add other nodes that implement, for example, a coil.

SETTINGS
The settings for the Plasma interface can be found in The Plasma Interface section. The
settings for the Magnetic Fields interface can be found in the The Magnetic Fields
Interface in the AC/DC Module User’s Guide.

These nodes are described in this section:

• Plasma Conductivity Coupling

• Electron Heat Source
• Collisionless Heating

270 | CHAPTER 8: PLASMA INTERFACES

Plasma Conductivity Coupling
The Plasma Conductivity Coupling computes the electrical conductivity of the plasma
based on the cold plasma approximation. The electron density and collision frequency
are provided by the Plasma interface, and the angular frequency by the Magnetic Fields
or Electromagnetic Waves, Frequency Domain interfaces.

COMPUTE TENSOR PLASMA CONDUCTIVITY

If a static magnetic field is present, and the pressure is suitably low, it may be necessary
to use a full tensor for the plasma conductivity. This can result is a non-linear and
anisotropic plasma conductivity, as is the case in electron cyclotron resonance. When
Compute tensor plasma conductivity is active, enter a value for the Doppler broadening
parameter. This can smooth resonance zones where the power deposition is focused
over a very small region. The lower the value entered, the more smoothing occurs.
More information can be found in the resonance zone section.

COUPLED INTERFACES
The selection for this multiphysics coupling is locked, and corresponds to the
intersection of the Magnetic Fields or Electromagnetic Waves, Frequency Domain and
Plasma interfaces specified in the Coupled Interfaces section.

Electron Heat Source

The Electron Heat Source coupling applies the heat source from the Magnetic Fields or
Electromagnetic Waves, Frequency Domain to the electrons in the Plasma interface. This
corresponds to inductive heating or wave-heating of the electrons respectively.

COUPLED INTERFACES
The selection for this multiphysics coupling is locked, and corresponds to the
intersection of the Magnetic Fields or Electromagnetic Waves, Frequency Domain and
Plasma interfaces specified in the Coupled Interfaces section.

Collisionless Heating
The Collisionless Heating multiphysics node includes the non-local heating effects via an
effective viscosity approximation. Typically this is only important at very low pressures
(less than 2 Pa) and frequencies above 10 MHz.

THE INDUCTIVELY COUPLED PLASMA INTERFACE | 271

 COUPLED INTERFACES
The selection for this multiphysics coupling is locked, and corresponds to the
intersection of the Magnetic Fields and Plasma interfaces specified in the Coupled
Interfaces section.

272 | CHAPTER 8: PLASMA INTERFACES

The Microwave Plasma Interface
This physics interface requires a RF Module license. For theory and
physics interface feature descriptions, see the RF Module User’s Guide.

The Microwave Plasma physics interface is suitable for studying discharges that are
sustained by electromagnetic waves (wave-heated discharge). The electromagnetic
waves are solved for in the frequency domain, and all plasma variables are solved for in
the time-domain.

When a predefined Microwave Plasma interface ( ) is added from the Plasma

branch ( ) of the Model Wizard or Add Physics windows, Plasma and Electromagnetic
Waves, Frequency Domain interfaces are added to the Model Builder. In addition, the
Multiphysics node is added, which automatically includes the multiphysics coupling
features Plasma Conductivity Coupling and Electron Heat Source.

When the Plasma physics interface is added, these default nodes are also added to the
Model Builder: Plasma Model, Zero Charge, Insulation, and Initial Values. Then, from the
Physics toolbar, add other nodes that implement, for example, the plasma chemistry
and boundary conditions.

When the Electromagnetic Waves, Frequency Domain interface is added, these default
nodes are also added to the Model Builder—Wave Equation, Electric, Perfect Electric
Conductor, and Initial Values. Then, from the Physics toolbar, add other nodes that
implement, for example, a port.

SETTINGS
The settings for the Plasma interface can be found in The Plasma Interface section. The
settings for the Electromagnetic Waves, Frequency Domain interface can be found in the
The Electromagnetic Waves, Frequency Domain Interface in the RF Module User’s
Guide.

For a description of the multiphysics nodes, refer to:

• Plasma Conductivity Coupling

• Electron Heat Source

THE MICROWAVE PLASMA INTERFACE | 273

 Plasma Reactors Theory
The Plasma interface couples the Drift Diffusion, Heavy Species and Electrostatic
interfaces. A brief explanation of the underlying equations is given here.

For detailed information about electron transport see Theory for the
Drift Diffusion Interface.

For detailed information about the transport of the non-electron species

see Theory for the Heavy Species Transport Interface.

For detailed information about electrostatics see The Electrostatics

Interface.

The electron density and mean electron energy are computed by solving a pair of
drift-diffusion equations for the electron density and mean electron energy.
Convection of electrons due to fluid motion is neglected.

∂ n
( ) + ∇ ⋅ [ – ne ( μ e • E ) – ∇ ( De n e ) ] = Re
∂t e

∂ n
( ) + ∇ ⋅ [ – nε ( με • E ) – ∇ ( Dε nε ) ] + E ⋅ Γe = Rε
∂t ε

The electron source Re and the energy loss due to inelastic collisions Rε are defined
later. If a strong DC magnetic field is present then the electron mobility can be a
tensor:

1
-------- – B z B y
μ dc
–1 1
μe = B z -------- – B x
μ dc
1
– B y B x --------
μ dc

where the inverse of the mobility has been used because the actual expression for the
electron mobility cannot be written in a compact form. The quantity μdc is the electron
mobility in the absence of a magnetic field. The electron diffusivity, energy mobility
and energy diffusivity are then calculated using:

274 | CHAPTER 8: PLASMA INTERFACES

 D e = μ e T e, μ ε =  --- μ e, D ε = μ ε T e
5
 3

The source coefficients in the above equations are determined by the plasma chemistry
and are written using either rate or Townsend coefficients. Suppose that there are M
reactions which contribute to the growth or decay of electron density and P inelastic
electron-neutral collisions. In general P >> M. In the case of rate coefficients, the
electron source term is given by

Re =  xj kj Nn ne
j=1

where xj is the mole fraction of the target species for reaction j, kj is the rate coefficient
for reaction j (SI unit: m3/s), and Nn is the total neutral number density
(SI unit: 1/m3). When Townsend coefficients are used, the source term becomes

Re =  xj αj Nn Γe
j=1

where αj is the Townsend coefficient for reaction j (SI unit: m2) and Γe is the electron
flux (SI unit: 1/(m2·s)). Townsend coefficients can increase the stability of the
numerical scheme when the electron flux is field driven as is the case with DC
discharges.

The electron energy loss is obtained by summing the collisional energy loss over all
reactions:

Rε =  xj kj Nn ne Δεj
j=1

where Δεj is the energy loss from reaction j (SI unit: V). In the case of Townsend
coefficients, the energy loss is given by

Rε =  xj αj Nn Γe Δεj
j=1

PLASMA REACTORS THEORY | 275

 The electron source and inelastic energy loss are automatically computed by the
multiphysics interface. The rate coefficients can be computed from cross section data
by the following integral:

∞
kk = γ 0 εσk ( ε )f ( ε ) dε
where:

• γ = (2q/me)1/2 (C1/2/kg1/2)
• me is the electron mass (SI unit: kg)
• ε is the energy (SI unit: V)
• σk is the collision cross section (SI unit: m2), and
• f is the electron energy distribution function. Choose between Maxwellian,
Druyvesteyn, or a Generalized EEDF.

For non-electron species, the following equation is solved for the mass fraction of each
species.

∂
ρ ( w ) + ρ ( u ⋅ ∇ )w k = ∇ ⋅ j k + R k
∂t k

The electrostatic field is computed using the following equation:

– ∇ ⋅ ε 0 ε r ∇V = ρ

The space charge density, ρ is automatically computed based on the plasma chemistry
specified in the model using the formula:

 N 
ρ = q   Z k n k – n e .
k = 1 

276 | CHAPTER 8: PLASMA INTERFACES

Capacitively Coupled Plasmas
Capacitively coupled plasmas (CCP) represent a monumental challenge when it comes
to numerical modeling for the following reasons:

• The method of power deposition into the plasma from the electric field is a highly
nonlinear process meaning that the problem must be solved in the time domain.
This requires the RF cycle to be accurately resolved over time. Because a capacitively
coupled plasma can take thousands of RF cycles to reach a periodic steady state
solution, it can take hours or even days for a problem to solve.
• String electric fields, which result in the plasma sheath, can lead to very high Peclet
numbers. This means that the numerical scheme can become unstable unless the
mesh is sufficiently fine in the plasma sheath.
• The external circuit connecting a CCP reactor to a power supply nearly always needs
to be included in the model.
• Sharp geometric corners lead to substantial local electric fields that can result in
nonphysical ion fluxes.

When the Metal Contact feature is active, it is possible to include quick options for the
most common types of electrical circuit. The Circuit type has the following options,
which affect the value of the electric potential imposed on the electrode. When the
Circuit type is anything other than None, the electric potential imposed on the
electrode, V is not necessary equal to the user supplied voltage, V0.

The Electrostatics Interface

NONE
When the circuit type is set to None, the electric potential imposed at the electrode is
equal to the user supplied electric potential:

V = V0 .

BALLAST RESISTOR
This option places a ballast resistor between the user supplied electric potential and the
applied voltage. In this case, the imposed value of the electric potential on the
electrode becomes:

CAPACITIVELY COUPLED PLASMAS | 277

 V = V0 – Ip Rb

where Rb is the value of the ballast resistor, and Ip is the total current flowing into the
electrode. The current is computed by integrating the normal component of the
electron and ion current densities over the electrode surface. This boundary condition
should be used to prevent arcing in a DC discharge. If the plasma current becomes
high, the magnitude of the applied voltage is reduced, thus avoiding a positive
feedback loop where the plasma densities become extremely high.

SERIES RC CIRCUIT
This option places a ballast resistor and blocking capacitor between the user supplied
electric potential and the applied voltage. In steady state, this has the same effect as the
ballast resistor option. One advantage of this option is that the imposed voltage on the
electrode is smoothly ramped up from 0 to the setpoint in a time constant determined
by the value of the ballast resistor and blocking capacitor. This can help with
convergence when solving because it results in initial conditions which are consistent
with the boundary conditions. The imposed value of the electric potential on the
electrode becomes:

dV
V = V0 – Ip Rb – Rb Cb .
dt

This option is the preferred option to use when modeling DC discharges.

BLOCKING CAPACITOR
Another less useful option is to include a blocking capacitor in between the electrode
and voltage source. In this case, the imposed value of the electric potential is given by
the equation:

Cb d ( V0 – V ) = Ip
dt

where Ip is the current due to motion of charged carriers and the displacement current.

Computing the DC Bias

The DC bias in a capacitively coupled plasma can be computed using the Terminal
boundary condition and setting the Terminal type to Current. In this case, the following
integral constraint is enforced:

278 | CHAPTER 8: PLASMA INTERFACES

 ∂
 ∂ t( n ⋅ D ) dS = I0 .
∂Ω

where I0 is the user defined expression for the current. This constraint is enforced by
introducing a Lagrange multiplier for the electric potential on this boundary. The
software adjusts the value of the electric potential such that the above constraint is
satisfied. Since the constraint involves the time derivative of the electric displacement,
the Use weak constraints check box needs to be selected. This produces a much more
accurate value for the integral in the above equation.

Once the plasma has reached its periodic steady state solution, the DC bias can be
computed by evaluating the time averaged value of the electric potential on the
terminal over 1 RF cycle.

CAPACITIVELY COUPLED PLASMAS | 279

 DC Discharges
The theory for modeling DC discharges is described in this section:

• Introduction to DC Discharge Theory

• DC Discharge Boundary Conditions
• Tips for Modeling DC Discharges

Introduction to DC Discharge Theory

Due to the complexity of coupling the electrostatic field to the transport of electrons
and heavy species, the Plasma Module provides the Plasma interface for modeling DC
discharges. The complicated coupling between the electron transport, heavy species
transport, and electrostatic field is handled automatically by the software.
Furthermore, the secondary emission flux from ion bombardment on an electrode is
automatically computed and used in the boundary condition for electrons. This makes
it easy to model things such as positive columns and DC glow discharges.

The physics of DC discharges can be further complicated when a strong, static

magnetic field is present. This can lead to highly anisotropic transport properties for
the electrons. The Plasma interface automatically computes the tensor form of the
electron mobility if requested. This makes it possible to model things such as
magnetron discharges and hall thrusters. DC discharges require reaction rates to be
specified in terms of Townsend rather than rate coefficients. The main reason is that
Townsend coefficients provide a better description of the physics in the cathode fall
region. The discharge is sustained by secondary emission, rather than a time varying
electric field. Therefore, secondary emission effects must be included in any DC
discharge model otherwise the plasma simply self extinguishes.

It is important to be aware of the different time scales at which the components of a

plasma can change:
TABLE 8-1: TABLE OF VARIOUS TIME SCALES IN A PLASMA

PHENOMENA TIME SCALE

Electromagnetic field propagation Instantaneous

Electron energy < 1 ns
Electron transport nanoseconds
Ion transport microseconds

280 | CHAPTER 8: PLASMA INTERFACES

TABLE 8-1: TABLE OF VARIOUS TIME SCALES IN A PLASMA

PHENOMENA TIME SCALE

Excited species transport milliseconds

Neutral gas flow 10’s milliseconds

DC Discharge Boundary Conditions

Since secondary emission effects are vital in sustaining DC discharges. Therefore the
boundary conditions play an important role in DC discharges. The secondary emission
flux for electrons is defined as:

n ⋅ Γ e, s =  γk ( Γk ⋅ n )
k=1

Additionally, the secondary emission energy flux requires that the mean energy of the
secondary electrons are specified:

n ⋅ Γ ε, s =  γk εk ( Γk ⋅ n )
k=1

The secondary emission fluxes are automatically computed by the Plasma interface
when surface reactions are added to a model. The mean electron energy of the emitted
electrons, εk is typically a function of the ionization energy of the impinging ion and
the work function of the surface:

ε k = Δε k – 2W f

where Δεk is the ionization energy (SI unit: V) and Wf is the work function of the
surface (SI unit: V). On dielectric surfaces, charge accumulates due to the difference
in fluxes between the electrons and ions:

dρ s
= n ⋅ Ji + n ⋅ Je
dt

where Ji is the normal total ion current and Je is the normal total electron current.
The surface charge density, ρs is used as a boundary condition in the Electrostatics
interface:

–n ⋅ D = ρs

DC DISCHARGES | 281
 Tips for Modeling DC Discharges
There are a number of key points to consider when modeling DC discharges:

• For atmospheric pressure DC discharges, the plasma might naturally try to arc. This
typically causes the solver to terminate because it cannot reach the desired
tolerances. Often this behavior is undesired, so in practical experimental setups a
series RC circuit is added between the driven electrode and the power supply. This
prevents arcing from occurring and results in a glow discharge. It is recommended
to use the Series RC circuit option in the Circuit Settings section of the Electric
Potential feature.
• Townsend coefficients should be used in preference to rate coefficients if possible.
Townsend coefficients give a more realistic description of cathode fall regions in DC
discharges.
• Secondary emission from a surface bombarded by ions must be included somewhere
in the model in order for the discharge to be sustained.
• Although a DC discharge ultimately reaches a steady-state condition, the problem
must be solved as a time-dependent problem so the plasma can naturally evolve into
its equilibrium state.
• The initial conditions should enforce the electroneutrality constraint.

282 | CHAPTER 8: PLASMA INTERFACES

Theory for Inductively Coupled
Plasmas
The Inductively Coupled Plasma Interface and The Microwave Plasma Interface
theory is described in this section:

• Introduction to Inductively Coupled Plasmas

• Domain Equations for the Inductively Coupled Plasma Interface
• Wave Heated Discharge Theory
• Plasma Conductivity in the Presence of a Static Magnetic Field
• Plasma Conductivity in the Presence of a Static Magnetic Field

Introduction to Inductively Coupled Plasmas

Inductively coupled plasma (ICP) reactors are important in plasma processing and
plasma sources because the plasma density can be considerably higher than in
capacitively coupled discharges. ICP reactors are also attractive from the modeling
perspective because they are relatively straightforward to model. Inductively coupled
plasmas are relatively straightforward to model due to the fact that the induction
currents can be solved for in the frequency domain. This means that the RF cycle
applied to the driving coil does not need to be explicitly resolved. As such, the quasi
steady-state solution is reached in relatively few time steps.

In a 2D axial symmetric ICP reactor, a coil driven at a high frequency (usually

13.56 MHz) creates a magnetic field with only an in-plane component (the r-z plane)
and a high frequency out-of-plane component of the electric field (in the θ-direction).
This results in oscillatory electron motion in the θ-direction only. Due to this effect,
further simplifications can be made and the out-of-plane electric field can be solved for
in the frequency domain. Consider the momentum conservation of electrons as given
in Equation 6-3:

∂ n T
( m u ) + ∇ ⋅ n e m e u e u e = – ( ∇ ⋅ p e ) + qn e E – n e m e u e ν m
∂t e e e

where me is the electron mass (SI unit: kg), ue is the drift velocity of the electrons
(SI unit: m/s), pe is the electron pressure tensor (SI unit: Pa), q is the electron change
(SI unit: s A), E is the electric field (SI unit: V/m) and νm is the momentum transfer

THEORY FOR INDUCTIVELY COUPLED PLASMAS | 283

 frequency (SI unit: 1/s). Neglecting the inertial term and taking only the
θ-component yields:

∂ n
( m u ) = – ∂ ( n e k B T e ) + qn e E θ – n e m e u e, θ ν m .
∂ t e e e, θ ∂θ

Since ne and Te are uniform in the θ-direction, the first term on the right and side can
be neglected, resulting in:

∂ n
( m u ) = qn e E θ – n e m e u e, θ ν m
∂ t e e e, θ

which is a linear equation in for ue,θ which can be Fourier transformed by letting:

E θ = E˜θ e
jωt

and

u e, θ = u e˜, θ e
jωt

the resulting equation in the frequency domain is:

jωn e m e u e˜, θ = qn e E˜θ – n e m e u e˜, θ ν m .

Multiplying this equation by q and defining the out-of-plane electron current density
as:

J˜θ = qn e u e˜, θ

the following expression is obtained:

2
q ne
J˜θ = --------------------------------- E˜θ
m e ( ν m + jω )

which relates the current density to the electric field in the form of J θ = σE θ with
the plasma conductivity, σ defined as:

2
q ne
σ = ---------------------------------
m e ( ν m + jω )

which is required by Equation 8-6. The third term on the left hand side of
Equation 6-4 now has an additional contribution due to the out-of-plane motion of
the electrons:

284 | CHAPTER 8: PLASMA INTERFACES

 Jθ
E ⋅ Γ e = E θ ⋅ ------ = ---  --- real ( E˜θ J˜θ ) .
1 1
q q  2

The presence of the driving coil in an ICP reactor also introduces capacitive coupling
between the coil and the electrons in the plasma sheath. This is neglected in COMSOL
Multiphysics. This is because the electron density in an ICP reactor is typically so high
that the Debye length is very small, meaning that the in-plane component of the
electric field cannot penetrate into the plasma.

When collisionless heating is included in the model an extra degree of freedom for the
out-of-plane electron drift velocity, uθ, is added:

q
n e u θ jωt + n e υ e u θ – η eff ∇ ⋅ ( n e ∇u θ ) = – ------- n e E θ
me

where ηeff is the effective viscosity coefficient defined as:

2 4 --1-
 c V th  3
η eff =  -----------------
 π 2 ω 2p ω

and Vth is the thermal velocity defined as:

3T e q
V th = -------------
me

and ωp is the plasma frequency defined as:

2
q n
ωp = ------------e- .
ε0 me

The plasma conductivity, σ, is set to zero and the out-of-plane current density, Jφ has
the following term added to it:

Jθ = ne uθ q .

Domain Equations for the Inductively Coupled Plasma Interface

The Inductively Coupled Plasma Interface solves a system of coupled partial
differential equations for:

• The electron density

THEORY FOR INDUCTIVELY COUPLED PLASMAS | 285

 • The mean electron energy
• The mass fraction of each of the heavy species
• The electrostatic potential
• The electric field due to induction currents

For a nonpolarized plasma, the induction currents are computed in the frequency
domain using the following equation:

2 –1 e
( jωσ – ω ε 0 ε r )A + ∇ × ( μ 0 ∇ × A ) = J (8-6)

• Plasma Reactors Theory

• The Magnetic Fields Interface in the AC/DC User’s Guide

The links to items described in other user’s guides or reference manuals

do not work in the PDF, only from the on line help.

286 | CHAPTER 8: PLASMA INTERFACES

Theory for Microwave Plasmas
Microwave plasmas, or wave-heated discharges, find applications in many industrial
areas such as semiconductor processing, surface treatment, and the abatement of
hazardous gases.

Introduction
Microwave plasmas are sustained when electrons can gain enough energy from an
electromagnetic wave as it penetrates into the plasma. The physics of a microwave
plasma is quite different depending on whether the TE mode (out-of-plane electric
field) or the TM mode (in-plane electric field) is propagating. In both cases, it is not
possible for the electromagnetic wave to penetrate into regions of the plasma where
the electron density exceeds the critical electron density (around 7.6x1016 1/m3 for
2.45 GHz). The critical electron density is given by the formula:

2
ε0 me ω
n e = -------------------
2
-
q

where ε0 is the permittivity of free space, me is the electron mass, ω is the angular
frequency, and q is the electron charge. This corresponds to the point at which the
angular frequency of the electromagnetic wave is equal to the plasma frequency. The
pressure range for microwave plasmas is very broad. For electron cyclotron resonance
(ECR) plasmas, the pressure can be on the order of around 1 Pa, while for non-ECR
plasmas, the pressure typically ranges from 100 Pa up to atmospheric pressure. The
power can range from a few watts to several kilowatts. Microwave plasmas are popular
due to the cheap availability of microwave power.

Wave Heated Discharge Theory

In the Microwave Plasma interface, the electromagnetic waves are computed in the
frequency domain and all other variables in the time domain. In order to justify this
approach, we start from Maxwell’s equations, which state that:

˜ ˜
∇×E = –∂ B (8-7)
∂t

THEORY FOR MICROWAVE PLASMAS | 287

 ˜ ˜ ∂ ˜
∇ × H = Jp + D (8-8)
∂t
˜ ˜ ˜
where E is the electric field (V/m), B is the magnetic flux density (T), H is the
˜ 2 ˜
magnetic field (A/m), J p is the plasma current density (A/m ), and D is the
electrical displacement (C/m2). The tilde is used to denote that the field is varying in
time with frequency ω/2π. The plasma current density can be approximated by this
expression:

˜
J p = – qn e v˜ e (8-9)

where q is the unit charge (C), ne is the electron density (1/m3), and v˜ e is the mean
electron velocity under the following two assumptions:

1 Ion motion is neglected with respect to the electron motion on the microwave time
scale.
2 The electron density is assumed constant in space on the microwave time scale.

The mean electron velocity on the microwave time scale, v˜ e , is obtained by assuming
a Maxwellian distribution function and taking a first moment of the Boltzmann
equation Ref. 2:

∂ṽ e q ˜
= – ------- E + ν m v˜ e (8-10)
∂t me

where me is the electron mass (kg) and νm is the momentum transfer frequency
between the electrons and background gas (1/s). As pointed out in Ref. 1, the
equations are linear, so we can take a Fourier transform of the equation system. Taking
a Fourier transform of equation Equation 8-10 gives:

q
jωv e + ν m v e = ------- E
me

where the tilde has been replaced by a bar to reflect the fact that we are now referring
to the amplitude of the fields. Multiplying both sides by -ene and re-arranging gives:

2
ne q
– qn e v e = --------------------------------- E
m e ( ν m + jω )

or, in simpler form:

J p = σE

288 | CHAPTER 8: PLASMA INTERFACES

where:

2
ne q
σ = --------------------------------- (8-11)
m e ( ν m + jω )

Equation 8-7 and Equation 8-8 can be re-arranged by taking the time derivative of
Equation 8-8 and substituting in Equation 8-7:

–1 2
∇ × μ ∇ × E = ( ω ε 0 ε r – jωσ )E

where μ is the permeability, σ is given in equation Equation 8-11 above, and the
plasma relative permittivity set to one. The equation could also be recast where the
relative permittivity is complex-valued and the plasma conductivity is zero Ref. 3. The
convention employed throughout the Plasma Module is that the plasma conductivity
is given by equation Equation 8-11 and the plasma relative permittivity is set to 1.

Solving the above equation with appropriate boundary conditions allows for the power
transferred from the electromagnetic fields to the electrons to be calculated:

1
Q rh = --- real ( J ⋅ E° )
2

where J is the total current density (the plasma current plus the displacement current
density) and ° denotes the complex conjugate.

AMBIPOLAR FIELDS
In addition to the equation above, a set of equations are solved in the time domain for
the electron density ne, electron energy density nε, plasma potential V, and all ionic and
neutral species. These are the same equations solved in the Plasma interface and are
given in the Plasma Reactors Theory section.

TE AND TM MODE PROPAGATION

In 2D or 2D axisymmetric models, the electromagnetic waves propagate in either the
transverse electric (TE) mode or the transverse magnetic (TM) mode. In the TE mode,
the electric field is only in the transverse direction and the magnetic field in the
direction of propagation. Therefore, COMSOL Multiphysics solves only for the
out-of-plane component of the high-frequency electric field. In the TM mode, the
magnetic field is in the transverse direction and the electric field only in the direction
of propagation, so COMSOL Multiphysics solves only for the in-plane components of
the high-frequency electric field.

THEORY FOR MICROWAVE PLASMAS | 289

 TE MODE
In the TE mode, electrons do not experience any change in the high-frequency electric
field during the microwave time scale. This means that the phase coherence between
the electrons and electromagnetic waves is only destroyed through collisions with the
background gas. The loss of phase coherence between the electrons and
high-frequency fields is what results in energy gain for the electrons. Therefore, the
momentum collision frequency is simply given by:

νm = νe

where νe is the collision frequency between the electrons and neutrals.

TM MODE
The TM mode causes in-plane motion of the electrons on the microwave time scale,
so in regions where the high-frequency electric field is significant (the contour where
the electron density is equal to the critical density), the time-averaged electric field
experienced by the electrons may be non-zero. This destroys the phase coherence
between the electrons and the fields, causing the electrons to gain energy. This is an
example of a non-local kinetic effect, which is difficult to approximate with a fluid
model. However, since this effect is similar to collisions with a background gas, the
non-local effects can be approximated by adding an effective collision frequency to the
momentum collision frequency:

ν m = ν e + ν eff

where νeff is the effective collision frequency to account for non-local effects. This is
discussed in more detail in Ref 1, where an effective collision frequency of no more
than ω/20 is suggested.

ECR REACTORS
When modeling ECR (electron cyclotron resonance) reactors, another layer of
complication is added to the problem. The electron transport properties become
tensors and functions of a static magnetic flux density, which can be created using
permanent magnets. The plasma conductivity also becomes a full tensor, and a highly
nonlinear function of the static magnetic flux density. In addition, it is necessary to
consider all three components of the electromagnetic field. Comprehensive details on
how to set up and solve a model of an ECR reactor can be found in the Dipolar
Microwave Plasma Source model documentation.

290 | CHAPTER 8: PLASMA INTERFACES

RESONANCE ZONE
The above equations are quite straightforward to solve, provided that the plasma
frequency is below the angular frequency everywhere in the modeling domain. At a
frequency of 2.45 GHz, this corresponds to an electron density of 7.6×1016 1/m3,
which is lower than most industrial applications. When the plasma density is equal to
this value, the electromagnetic wave transitions from propagating waves to evanescent
waves. Applications of microwave plasmas where the electron density is greater than
the critical density include:

• Atmospheric pressure discharges, where the electron density can be several orders
of magnitude higher than the critical density.
• Traveling-wave-sustained and surface-wave discharges. For the surface wave to
propagate, the electron density must be higher than the critical density.

The resonance zone can be smoothed by activating the Compute tensor plasma
conductivity check box in the Plasma Conductivity Coupling multiphysics coupling:

The Doppler broadening parameter, δ, corresponds to the value used for the effective
collision frequency via the formula:

ω
ν m = ν e + ----
δ

Therefore, a value of 20 is a compromise between accuracy and numerical stability as

detailed above.

THEORY FOR MICROWAVE PLASMAS | 291

 DEPOSITED AND REFLEC TED POWER
When using the Port boundary condition, the sum of the deposited and reflected
power is supplied by default. It is also possible to specify only the deposited power, as
shown in the Settings window below:

Using this option results in a more stable equation system because the total power
transferred to the electrons remains constant. When you use the Port input power
option, some of the power is deposited and some is reflected back out of the port,
depending on the plasma’s current state. The plasma can go from absorbing a very
small amount to a very large amount of power in a very short time period, which can
make the problem numerically unstable or lead to the solver taking extremely small
time steps.

292 | CHAPTER 8: PLASMA INTERFACES

MODELING SUGGESTIONS
The following is a collection of tips and tricks to try to help with convergence and
decrease computation time:

• Fix the total power into the discharge by using the Specify deposited power option
in the Port boundary condition, or by using the approach suggested in Ref. 1, which
the Applications Libraries example “Dipolar Microwave Plasma Source”
demonstrates.
• Start the Doppler broadening parameter to a number below 1, then ramp this
number up to 20 over the course of the simulation. This smears out the resonance
zone initially, then gradually make the region smaller and smaller. You can
implement it by defining a Ramp function with a cutoff value of 20.
• If the number density in the discharge is very high, it is probably operating in full
surface-wave mode. In this case, it may be necessary to use a Doppler broadening
parameter of 10. This makes the model more stable when solving, but the accuracy
of such a model should be carefully considered.
• The initial electron density should be below the critical plasma density in the TM
mode case. This recommendation is not strictly necessary for the TE mode case.
• Negatively biasing an electrode may have a significant effect on the discharge
because it may shift the contour of critical plasma density away from its unbiased
location. The best thing to do is to solve the model with a value of around 5 for the
Doppler broadening parameter, then slowly increase its value.

SOLVER SETTINGS
Solver settings play an important role, and COMSOL Multiphysics automatically
generates the best solver settings depending on how the model is set up. By default,
when the Port input power option is used, the solver settings mentioned below are
implemented. The segregated solver is used with two groups:

• All the plasma variables (electron density, electron energy, ion density, plasma
potential, and so on).
• All the variables associated with the electromagnetic waves (high frequency electric
field, S-parameters).

When the Specify deposited power option in the Port boundary condition is used, the
solver suggestion is modified so that there are three groups:

• All the plasma variables (electron density, electron energy, ion density, plasma
potential, and so on).

THEORY FOR MICROWAVE PLASMAS | 293

 • All the variables associated with the electromagnetic waves (high-frequency electric
field, S-parameters).
• A dependent variable called Pdeposited, which is a differential algebraic equation
used to fix the deposited, rather than total power.

In COMSOL Multiphysics the absorption of electromagnetic waves must

be realized through a complex-valued electrical conductivity. It is not
possible to specify a complex-valued permittivity. The Plasma
Conductivity Coupling multiphysics coupling automatically computes
the plasma conductivity based on the electron density, collision frequency,
and any external DC magnetic flux density that is present.

Plasma Conductivity in the Presence of a Static Magnetic Field

The relationship between the plasma current density and the electric field becomes
more complicated in the presence of a DC magnetic field. The following equation
defines this relationship:

–1
σ •J = E

where σ is the plasma conductivity tensor which is a function of the electron density,
collision frequency and magnetic flux density. Using the definitions:

q
α = -------------------------------, β = n e qα
m e ( ν e + jω )

where q is the electron charge, me is the electron mass, ne is the collision frequency,
and ω is the angular frequency of the electromagnetic field, the inverse of the plasma
conductivity can be written as:

1 α α
--- – --- B z --- B y
β β β
–1 α 1 α
σ = --- B --- – --- B x
β z β β
α α 1
– --- B y --- B x ---
β β β

where B is the magnetic flux density which has three components Bx, By, and Bz. The
inverse of the plasma conductivity is used because it can be written in a compact,
convenient form. The plasma conductivity is a highly nonlinear function of the

294 | CHAPTER 8: PLASMA INTERFACES

magnetic flux density. The conductivity exhibits resonant behavior at a critical
magnetic flux density given by the simple formula:

me ω
B res = ------------
q

At this critical magnetic flux density the electrons continually gain energy from the
electric field at all phases of the RF cycle. This principle, called electron cyclotron
resonance is exploited in ECR reactors.

References
1. G.J.M. Hagelaar, K. Makasheva, L. Garrigues, and J.-P. Boeuf, “Modelling of a
dipolar microwave plasma sustained by electron cyclotron resonance”, J. Phys. D:
Appl. Phys., vol. 42, p. 194019 (12pp), 2009.

2. R.L. Kinder and M.J. Kushner, “Consequences of mode structure on plasma

properties in electron cyclotron resonance sources”, J. Vac. Sci. Technol. A, vol. 17,
Sep/Oct 1999.

3. Michael A. Lieberman and Allan J. Lichtenberg, “Principles of Plasma Discharges

and Materials Processing”, Wiley (2005).

THEORY FOR MICROWAVE PLASMAS | 295

 Theory for Global Models
Introduction
If the Diffusion Model property is set to Global the model equations solved are greatly
simplified because the spatial information of the different quantities in the plasma
reactor are treated as volume-averaged. Without the spatial derivatives the numerical
solution of the equation set becomes considerably simpler and the computational time
is greatly reduced. This type of model is useful when investigating a broad region of
parameters with complex plasma chemistries.

To avoid unnecessary complexity in the notation the same symbols which were used
to represent the space-dependent quantities are used to represent the volume-averaged
quantities. In the following the different densities, mass fractions and other quantities
are to be thought as volume-averaged.

HEAVY SPECIES
For a mixture consisting of k = 1, …, Q species and j = 1, …, N reactions the
mass-fraction balance equations for the first Q − 1 species is given by

Vρ d ( w k ) = m f w f, k – m o w k + VR k +
dt  hl Al Rsurf, k, l Mk – wk  hl Al Mf, l
l l

where:

• mf is the total feed mass-flow rate (SI unit: kg/s))

• mo is the outlet mass-flow rate (SI unit: kg/s)
• wf,k is the mass fraction of species kth in the feed (1)
• hl is a correction factor for surface l (1)
• Al is the area of surface l (SI unit: m2)
• V is the reactor volume (SI unit: m3),
• Rsurf,k,l is the surface rate expression of surface l (SI unit: mol/(m2·s)).
• Mf,l is the inward mass flux of surface l (SI unit: kg/(m2·s)).
The sum in the last two term is over surfaces were species are lost or created. The forth
term on the right hand side accounts for surface reactions of species kth. The last term
on the right hand side is introduce because the species mass-balance equations are

296 | CHAPTER 8: PLASMA INTERFACES

written in the non-conservative form and it is used the mass-continuity equation to
replace for the mass density time derivative.

To take into account possible variations of the system total mass or pressure the
mass-continuity equation can also be solved

dρ
V
dt
= mf – mo +  hl Al Mf, l . (8-12)
l

Closed reactor
In the Reactor property it is possible to choose three different types of reactor models.
If the Reactor Type is set to Closed Reactor the mass-flow feeds are set to zero

mf = mo = 0 (8-13)

and Equation 8-12 is solved to take into account possible mass changes in the system
caused by surface reactions.

Constant mass
If the Reactor Type is set to Constant Mass the outlet mass-flow is set such that the feed
and surface reactions can not change the mass of the system

mo = mf +  h l A l M f, l (8-14)
l

and the pressure in the reactor is found in order to keep the mass-density constant

dρ
= 0. (8-15)
dt

Constant pressure
If the Reactor Type is set to Constant Pressure Equation 8-12 is not solved and the
outlet mass-flow feed is set such that the mass feed and surface reactions can not
change the mass of the system

mo = mf +  h l A l M f, l . (8-16)
l

This condition ensures that the feed and surface reactions can not change the mass
density. However, the mass density can still change as a result of a change in the mean
molar mass of the gas mixture in order to maintain a constant pressure.

THEORY FOR GLOBAL MODELS | 297

 Global Model Surface reactions
A great part of a successful implementation of a plasma global modal depends on how
the surface losses are estimated. For positive ions the forward rate constant can be
estimate to be equal to the Bohm velocity

eN a T e
k f, i = ----------------- (8-17)
Mk

where Te is the electron temperature (V).

For neutral species the forward rate constant can be estimate by

1 1 1
--------- = --------- + ----------- (8-18)
k f, i k γ, i k D, i

D k, m V
k D, i = ------------- ------ . (8-19)
Λ eff A l
2

When the Motz-Wise correction option is set to On

γi
k γ, i =  -------------------- ------------------
1  1 8RT
- --- ------------ (8-20)
1 – γ i ⁄ 2 ( Γ tot ) m  4 πM n

and when the Motz-Wise correction option is set to Off, the forward rate constant is
given via:

γ i  1 8RT
k γ, i = ------------------
- --- ------------ . (8-21)
( Γ tot ) m  4 πM n

Equation 8-19 is an estimation of the diffusive losses to the wall where Λeff is the
effective diffusion length, and Dk.m is the mixture-average diffusion coefficient of
species k.

Surface reactions can be adjusted using the Correction factor hl. It is common practice
to correct the surface ion losses by a factor that takes into account the ion spatial
profile. Models for the ion correction factor can be found in literature Ref. 2 and
Ref. 3.

ELECTRON DENSITY AND ELECTRON ENERGY DENSITY

The electron number density is obtained from electroneutrality

298 | CHAPTER 8: PLASMA INTERFACES

 N

ne =  Zk nk (8-22)
k=1

and electron energy density nε is computed from

P abs Al
e d ( n ε ) = R ε + ------------ +
dt V   ehl -----
-R N ( ε + εi )
V surf, k, l a e
(8-23)
l ions

where Pabs is the power absorbed by the electrons (SI unit: W), and e is the elementary
charge. The last term on the right hand side accounts for the kinetic energy
transported to the surface by electrons and ions. The summation is over all positive
ions and all boundaries with surface reactions, εe is the mean kinetic energy lost per
electron lost, εi is the mean kinetic energy lost per ion lost, and Na is Avogadro’s
number.

References for the Heavy Species Transport Interface

1. R.J. Kee, M.E. Coltrin, and P. Glarborg, Chemically Reacting Flow Theory and
Practice, Wiley, 2003

2. Michael A. Lieberman and Allan J. Lichtenberg, “Principles of Plasma Discharges

and Materials Processing”, Wiley (2005).

3. E. G. Thorsteinsoon, and J. T. Gudmundsson, “A global (volume averaged) model

of a chlorine discharge,” Plasma Sources Sci. Technol., vol. 19, p. 015001 (15pp),
2010.

THEORY FOR GLOBAL MODELS | 299

300 | CHAPTER 8: PLASMA INTERFACES
 9

Equilibrium Discharges Interfaces

This chapter describes the physics interfaces found under the Plasma>Equilibrium
Discharges branch ( ). The Equilibrium Discharges interfaces can be used to
model plasma in or in close local thermodynamic equilibrium (LTE), that is, where
the electrons and heavy particles temperature are approximately equal. Close to
LTE conditions are usually observed at high pressure and under small values of
electrical fields.

In this chapter:

• The Equilibrium DC Discharge Interface

• The Combined Inductive/DC Discharge Interface
• The Equilibrium Inductively Coupled Plasma Interface
• Equilibrium Discharges Theory
• Summary of the Equilibrium Discharge Interfaces Features

301
 The Equilibrium DC Discharge
Interface
The Equilibrium DC Discharge ( ) interface is used to study equilibrium discharges
that are sustained by a static (or slowly varying) electric field where induction currents
and fluid flow effects are negligible. This multiphysics interface adds an Electric
Currents interface and a Heat Transfer in Fluids interface. The multiphysics couplings
add special boundary conditions to model the ion and electron heating at the plasma
boundaries as well as heating and cooling of the equilibrium plasma by enthalpy
transport, Joule heating, and radiation loss.

When a predefined Equilibrium DC Discharge interface is added from the

Plasma>Equilibrium Discharges branch ( ) of the Model Wizard or Add Physics
windows, Electric Currents and Heat Transfer in Fluids interfaces are added to the Model
Builder. In addition, the Multiphysics node is added, which automatically includes the
multiphysics coupling features Equilibrium Discharge Heat Source, one Temperature
Coupling node, and a Equilibrium Discharge Boundary Heat Source feature.

On the Constituent Physics Interfaces

The Electric Currents interface computes electric field, current, and potential
distributions in conducting media under conditions where inductive effects are
negligible; that is, when the skin depth is much larger than the studied device. The
Electric Currents interface solves a current conservation equation based on Ohm’s law
using the scalar electric potential as the dependent variable.

The Heat Transfer in Fluids interface provides features for modeling heat transfer by
conduction, convection, and radiation. A Heat Transfer in fluids model is active by
default on all domains. All functionality for including other domain types, such as a
solid domain, is also available.

For details about predefined multiphysics couplings, see Multiphysics

Modeling Approaches in the COMSOL Multiphysics Reference Manual.

302 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

SETTINGS FOR PHYSICS INTERFACES AND COUPLING FEATURES
When physics interfaces are added using the predefined couplings, for example
Equilibrium DC Discharge, specific settings are included with the physics interfaces and
the coupling features.

However, if physics interfaces are added one at a time, followed by the coupling
features, these modified settings are not automatically included.

For example, if single Electric Currents and Heat Transfer in Fluids interfaces are added,
COMSOL adds an empty Multiphysics node. You can then choose from the available
coupling features, Equilibrium Discharge Heat Source, Temperature Coupling, and
Equilibrium Discharge Boundary Heat Source but the modified settings are not included.

Coupling features are available from the context menu (right-click the
Multiphysics node) or from the Physics toolbar, Multiphysics menu.

TABLE 9-1: MODIFIED SETTINGS FOR AN EQUILIBRIUM DC DISCHARGE INTERFACE

PHYSICS INTERFACE OR MODIFIED SETTINGS

COUPLING FEATURE

Electric Currents No changes

Heat Transfer in Fluids No changes
Equilibrium Discharge The Domain Selection is the same as that of the
Heat Source participating physics interfaces. The corresponding Electric
Currents and Heat Transfer in Fluids interfaces are
preselected in the Equilibrium Discharge Heat Source
section.
Temperature Coupling The corresponding Electric Currents and Heat Transfer in
Fluids interfaces are preselected in the Temperature
Coupling section (described in the COMSOL Multiphysics
Reference Manual).
Equilibrium Discharge The Boundary Selection contains all boundaries of the
Boundary Heat Source participating physics interfaces. The corresponding Electric
Currents and Heat Transfer in Fluids interfaces are
preselected in the Equilibrium Discharge Boundary Heat
Source section.

THE EQUILIBRIUM DC DISCHARGE INTERFACE | 303

 PHYSICS INTERFACE AND COUPLING FEATURES

Use the online help in COMSOL Multiphysics to locate and search all the
documentation. All these links also work directly in COMSOL
Multiphysics when using the Help system.

Coupling Features
• The Equilibrium Discharge Heat Source and Equilibrium Discharge Boundary
Heat Source multiphysics coupling nodes are described in this section.
• The Boundary Electromagnetic Heat Source and Temperature Coupling feature
nodes are described for The Joule Heating Interface in the COMSOL Multiphysics
Reference Manual.

Physics Interface Features

Physics feature nodes are available from the Physics ribbon toolbar (Windows users),
Physics context menu (Mac or Linux users), or right-click to access the context menu
(all users).

In general, to add a node, go to the Physics toolbar, no matter what

operating system you are using.

• The available physics features for The Electric Currents Interface are listed in the
section Domain, Boundary, Edge, Point, and Pair Nodes for the Electric Currents
Interface.
• The available physics features for the heat transfer interfaces are listed in the sections
Domain Features, Boundary Features, and Edge and Point Features in the
COMSOL Multiphysics Reference Manual.

If you also have the AC/DC Module, see ICP Torch: Application Library
path Plasma_Module/Equilibrium_Discharges/icp_torch

Equilibrium Discharge Heat Source

The Equilibrium Discharge Heat Source multiphysics coupling ( ) represents the
source term Q (SI units: W/m3) in the heat equation implemented by

304 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

 ∂T
ρC p  + u ⋅ ∇T – ∇ ⋅ ( k ∇T ) = Q (9-1)
∂t

The source term Q includes three selectable source/sink components:

• Resistive heating (ohmic heating).

Q = J⋅E (9-2)

• Volumetric net radiation loss Qrad defined by the total volumetric emission
coefficient, which comes from a material property.
• Enthalpy transport (energy carried by the electric current)
5k B T
∂  --------------
- ( ∇T ⋅ J ) (9-3)
∂ T  2q 

Note that the enthalpy transport term prevails, for instance, in the boundary layers
close to electrodes in a fully ionized electric discharge, Ref. 1.

SETTINGS
The Label is the default multiphysics coupling feature name.

The Name is used primarily as a scope prefix for variables defined by the coupling node.
Refer to such variables in expressions using the pattern <name>.<variable_name>. In
order to distinguish between variables belonging to different coupling nodes or physics
interfaces, the name string must be unique. Only letters, numbers, and underscores (_)
are permitted in the Name field. The first character must be a letter.

The default Name (for the first multiphysics coupling feature in the model) is phs1.

HEAT SOURCE COMPONENTS

By default, the Include enthalpy transport, Include Joule heating, and Include volumetric
net radiation loss check boxes are selected. From the list, select a Total volumetric
emission coefficient Qrad (SI unit: W/m3)—From material (the default) or User defined.
For User defined, enter a value or expression in the field. The heat source component
are selectable in order to be able to see the effect of each of the component on the
plasma dynamics.

EQUILIBRIUM DISCHARGE HEAT SOURCE

This section defines the physics involved in the Equilibrium Discharge Heat Source
multiphysics coupling. By default, the applicable physics interface is selected in the

THE EQUILIBRIUM DC DISCHARGE INTERFACE | 305

 Electromagnetic list to apply the Heat transfer to its physics interface to establish the
coupling.

You can also select None from either list to uncouple the Equilibrium Discharge Heat
Source node from a physics interface. If the physics interface is removed from the Model
Builder, for example Heat Transfer in Fluids is deleted, then the Heat transfer list defaults
to None as there is nothing to couple to.

If a physics interface is deleted and then added to the model again, and in
order to re-establish the coupling, you need to choose the physics
interface again from the lists. This is applicable to all multiphysics
coupling nodes that would normally default to the once present physics
interface. See Multiphysics Modeling Approaches in the COMSOL
Multiphysics Reference Manual.

Flow Coupling
The Flow Coupling multiphysics coupling ( ) defines u and p variables in order to set
the model inputs in the physics interface. In addition it provides all the fluids quantities
that may be needed by the physics interface (for example, viscosity, turbulence
parameters, and so on).

SETTINGS
The Label is the default multiphysics coupling feature name.

The Name is used primarily as a scope prefix for variables defined by the coupling node.
Refer to such variables in expressions using the pattern <name>.<variable_name>. In
order to distinguish between variables belonging to different coupling nodes or physics
interfaces, the name string must be unique. Only letters, numbers, and underscores (_)
are permitted in the Name field. The first character must be a letter.

The default Name (for the first multiphysics coupling feature in the model) is fc1.

FLOW COUPLING
This section defines the physics involved in the Flow Coupling multiphysics coupling.
By default, the applicable physics interface is selected in the Source list to apply the
Destination to its physics interface to establish the coupling.

You can also select None from either list to uncouple the Flow Coupling node from a
physics interface. If the physics interface is removed from the Model Builder, for

306 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

example Heat Transfer in Fluids is deleted, then the Destination list defaults to None as
there is nothing to couple to.

If a physics interface is deleted and then added to the model again, and in
order to re-establish the coupling, you need to choose the physics
interface again from the lists. This is applicable to all multiphysics
coupling nodes that would normally default to the once present physics
interface. See Multiphysics Modeling Approaches in the COMSOL
Multiphysics Reference Manual.

Equilibrium Discharge Boundary Heat Source

The Equilibrium Discharge Boundary Heat Source multiphysics coupling ( ) maps the
electromagnetic surface losses as a heat source on the boundary (SI unit: W/m2) in
the heat transfer part of the model.

SETTINGS
The Label is the default multiphysics coupling feature name.

The Name is used primarily as a scope prefix for variables defined by the coupling node.
Refer to such variables in expressions using the pattern <name>.<variable_name>. In
order to distinguish between variables belonging to different coupling nodes or physics
interfaces, the name string must be unique. Only letters, numbers, and underscores (_)
are permitted in the Name field. The first character must be a letter.

The default Name (for the first multiphysics coupling feature in the model) is bphs1.

ELECTRODE PROPERTIES
Select an Electrode polarity — Anode (the default) or Cathode. Enter a Surface work
function Φ (SI unit: V). The default is 4.15 V.

ELECTRON CURRENT
This section is available when Cathode is selected as the Electrode polarity.

Enter an Effective Richardson’s constant A*R (SI unit: A/(m2⋅K2)). The default is
120 A/(m2⋅K2). Enter an Effective work function Φeff (SI unit: V). The default is 2.6 V.

THE EQUILIBRIUM DC DISCHARGE INTERFACE | 307

 ION CURRENT
This section is available when Cathode is selected as the Electrode polarity. Enter a value
or expression for the Plasma’s ionization potential Vion (SI unit: V). The default is
15.7 V.

SOURCE POSITION
To display this section, click the Show button ( ) and select Advanced Physics Options.

Select a Source position — Layer (the default), Upside, or Downside.

EQUILIBRIUM DISCHARGE BOUNDARY HEAT SOURCE

This section has the same setting information as defined under Equilibrium Discharge
Heat Source.

308 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

The Combined Inductive/DC
Discharge Interface
The 3D version of this physics interface requires an AC/DC Module
license. For theory and physics interface feature descriptions, see the
AC/DC Module User’s Guide.

The Combined Inductive/DC Discharge ( ) interface is used to study equilibrium

discharges that are sustained by induction currents or static (slowly varying) electric
field, for instance, in arc welding simulations. This multiphysics interface adds these
single physics interfaces: Electric Currents, Magnetic Fields, Heat Transfer in Fluids,
and Laminar Flow. The multiphysics couplings add special boundary conditions to
model the ion and electron heating at the plasma boundaries as well as heating and
cooling of the equilibrium plasma by enthalpy transport, Joule heating, and radiation
loss. The multiphysics couplings also combine the induction and electrostatic currents
as well as the Lorentz forces to the hydrodynamics model.

When a predefined Combined Inductive/DC Discharge interface is added from the

Plasma>Equilibrium Discharges branch ( ) of the Model Wizard or Add Physics
windows, Electric Currents, Magnetic Fields, Heat Transfer in Fluids, and Laminar Flow
interfaces are added to the Model Builder. In addition, the Multiphysics node is added,
which automatically includes the multiphysics coupling features Equilibrium Discharge
Heat Source, Static Current Density Component, Induction Current Density Component,
Lorentz Force, Flow Coupling, three Temperature Coupling nodes, and a Equilibrium
Discharge Boundary Heat Source feature.

On the Constituent Physics Interfaces

The Electric Currents interface computes electric field, current, and potential
distributions in conducting media under conditions where inductive effects are
negligible; that is, when the skin depth is much larger than the studied device. The
Electric Currents interface solves a current conservation equation based on Ohm’s law
using the scalar electric potential as the dependent variable.

The Magnetic Fields interface is used to compute magnetic field and induced current
distributions in and around coils, conductors, and magnets. The Magnetic Fields
interface solves Maxwell’s equations formulated using the magnetic vector potential
and, optionally for coils, the scalar electric potential as the dependent variables.

THE COMBINED INDUCTIVE/DC DISCHARGE INTERFACE | 309

 The Heat Transfer in Fluids interface provides features for modeling heat transfer by
conduction, convection, and radiation. A Heat Transfer in Fluids model is active by
default on all domains. All functionality for including other domain types, such as a
solid domain, is also available.

The Laminar Flow interface solves for conservation of energy, mass and momentum in
fluids.

For details about predefined multiphysics couplings, see Multiphysics

Modeling Approaches in the COMSOL Multiphysics Reference Manual.

SETTINGS FOR PHYSICS INTERFACES AND COUPLING FEATURES

When physics interfaces are added using the predefined couplings, for example
Combined Inductive/DC Discharge, specific settings are included with the physics
interfaces and the coupling features.

However, if physics interfaces are added one at a time, followed by the coupling
features, these modified settings are not automatically included.

For example, if single Electric Currents, Magnetic Fields, Heat Transfer in Fluids, and
Laminar Flow interfaces are added, COMSOL adds an empty Multiphysics node. You
can then choose from the available coupling features, Equilibrium Discharge Heat Source,
Static Current Density Component, Induction Current Density Component, Lorentz Force,
Flow Coupling, Temperature Coupling, and Equilibrium Discharge Boundary Heat Source
but the modified settings are not included.

Coupling features are available from the context menu (right-click the
Multiphysics node) or from the Physics toolbar, Multiphysics menu.

TABLE 9-2: MODIFIED SETTINGS FOR A COMBINED INDUCTIVE/DC DISCHARGE INTERFACE

PHYSICS INTERFACE OR MODIFIED SETTINGS

COUPLING FEATURE

Electric Currents No changes

Magnetic Fields No changes
Heat Transfer in Fluids No changes
Laminar Flow No changes

310 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

TABLE 9-2: MODIFIED SETTINGS FOR A COMBINED INDUCTIVE/DC DISCHARGE INTERFACE

PHYSICS INTERFACE OR MODIFIED SETTINGS

COUPLING FEATURE

Equilibrium Discharge The Domain Selection is the same as that of the

Heat Source participating physics interfaces. The corresponding Electric
Currents and Heat Transfer in Fluids interfaces are
preselected in the Equilibrium Discharge Heat Source
section.
Static Current Density The Domain Selection is the same as that of the
Component participating physics interfaces. The corresponding Electric
Currents and Magnetic Fields interfaces are preselected in
the Static Current Density Component section.
Induction Current Density The Domain Selection is the same as that of the
Component participating physics interfaces. The corresponding Electric
Currents and Magnetic Fields interfaces are preselected in
the Induction Current Density Component section.
Lorentz Force The Domain Selection is the same as that of the
participating physics interfaces. The corresponding
Magnetic Fields and Laminar Flow interfaces are
preselected in the Lorentz Force section.
Flow Coupling The corresponding Laminar Flow and Heat Transfer in
Fluids interfaces are preselected in the Flow Coupling
section (described in the COMSOL Multiphysics
Reference Manual).
Temperature Coupling Three Temperature Coupling nodes (described in the
COMSOL Multiphysics Reference Manual) are generated.
The corresponding Electric Currents and Heat Transfer in
Fluids interfaces, the Magnetic Fields and Heat Transfer in
Fluids interfaces and the Laminar Flow and Heat transfer
in Fluids are preselected for these nodes.
Equilibrium Discharge The Boundary Selection contains all boundaries of the
Boundary Heat Source participating physics interfaces. The corresponding Electric
Currents and Heat Transfer in Fluids interfaces are
preselected in the Equilibrium Discharge Boundary Heat
Source section.

PHYSICS INTERFACE AND COUPLING FEATURES

Use the online help in COMSOL Multiphysics to locate and search all the
documentation. All these links also work directly in COMSOL
Multiphysics when using the Help system.

THE COMBINED INDUCTIVE/DC DISCHARGE INTERFACE | 311

 Coupling Features
• Static Current Density Component, Induction Current Density Component, and
Lorentz Force are described in this section.
• The Equilibrium Discharge Heat Source, Flow Coupling, and Equilibrium
Discharge Boundary Heat Source multiphysics coupling nodes are described for
The Equilibrium DC Discharge Interface.
• The Boundary Electromagnetic Heat Source and Temperature Coupling feature
nodes are described for The Joule Heating Interface in the COMSOL Multiphysics
Reference Manual.

Physics Interface Features

Physics nodes are available from the Physics ribbon toolbar (Windows users), Physics
context menu (Mac or Linux users), or right-click to access the context menu (all
users).

In general, to add a node, go to the Physics toolbar, no matter what

operating system you are using.

• The available physics features for The Laminar Flow Interface are listed in the
section Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow.
• The available physics features for The Electric Currents Interface are listed in the
section Domain, Boundary, Edge, Point, and Pair Nodes for the Electric Currents
Interface.
• The available physics features for the heat transfer interfaces are listed in the sections
Domain Features, Boundary Features, and Edge and Point Features in the
COMSOL Multiphysics Reference Manual.
• The available physics features for The Magnetic Fields Interface are listed in the
section Domain, Boundary, Point, and Pair Nodes for the Magnetic Fields Interface
in the AC/DC Module User’s Guide.

Static Current Density Component

The Static Current Density Component multiphysics coupling ( ) takes the induced
current density defined in the Electric Currents interface

J = σE

and maps it to the external current density defined in the Magnetic Fields interface.

312 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

SETTINGS
The Label is the default multiphysics coupling feature name.

The Name is used primarily as a scope prefix for variables defined by the coupling node.
Refer to such variables in expressions using the pattern <name>.<variable_name>. In
order to distinguish between variables belonging to different coupling nodes or physics
interfaces, the name string must be unique. Only letters, numbers, and underscores (_)
are permitted in the Name field. The first character must be a letter.

The default Name (for the first multiphysics coupling feature in the model) is scdc1.

STATIC CURRENT DENSITY COMPONENT

This section defines the physics involved in the Static Current Density Component
multiphysics coupling. By default, the applicable physics interface is selected in the
From electric currents list and is applied to the To magnetic fields interface to establish
the coupling.

You can also select None from either list to uncouple the Static Current Density
Component node from a physics interface. If the physics interface is removed from the
Model Builder, for example Electric Currents is deleted, then the From electric currents
list defaults to None as there is nothing to couple to.

If a physics interface is deleted and then added to the model again, and in
order to re-establish the coupling, you need to choose the physics
interface again from the lists. This is applicable to all multiphysics
coupling nodes that would normally default to the once present physics
interface. See Multiphysics Modeling Approaches in the COMSOL
Multiphysics Reference Manual.

Induction Current Density Component

The Induction Current Density Component multiphysics coupling ( ) takes the
induced current density defined in the Magnetic Fields interface

∂A
J = –σ (9-4)
∂t

and maps it to the external current density defined in the Electric Currents interface.

THE COMBINED INDUCTIVE/DC DISCHARGE INTERFACE | 313

 SETTINGS
The Label is the default multiphysics coupling feature name.

The Name is used primarily as a scope prefix for variables defined by the coupling node.
Refer to such variables in expressions using the pattern <name>.<variable_name>. In
order to distinguish between variables belonging to different coupling nodes or physics
interfaces, the name string must be unique. Only letters, numbers, and underscores (_)
are permitted in the Name field. The first character must be a letter.

The default Name (for the first multiphysics coupling feature in the model) is icdc1.

INDUCTION CURRENT DENSITY COMPONENT

This section defines the physics involved in the Induction Current Density
Component multiphysics coupling. By default, the applicable physics interface is
selected in the From magnetic fields list and is applied to the To electric currents interface
to establish the coupling.

You can also select None from either list to uncouple the Induction Current Density
Component node from a physics interface. If the physics interface is removed from the
Model Builder, for example Magnetic Fields is deleted, then the From magnetic fields list
defaults to None as there is nothing to couple to.

If a physics interface is deleted and then added to the model again, and in
order to re-establish the coupling, you need to choose the physics
interface again from the lists. This is applicable to all multiphysics
coupling nodes that would normally default to the once present physics
interface. See Multiphysics Modeling Approaches in the COMSOL
Multiphysics Reference Manual.

Lorentz Force
The Lorentz Force multiphysics coupling ( ) maps the Lorentz Force contribution
defined in the Magnetic Fields interface to the volume force defined in the Laminar
Flow interface.

SETTINGS
The Label is the default multiphysics coupling feature name.

The Name is used primarily as a scope prefix for variables defined by the coupling node.
Refer to such variables in expressions using the pattern <name>.<variable_name>. In

314 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

order to distinguish between variables belonging to different coupling nodes or physics
interfaces, the name string must be unique. Only letters, numbers, and underscores (_)
are permitted in the Name field. The first character must be a letter.

The default Name (for the first multiphysics coupling feature in the model) is lf1.

LORENTZ FORCE
This section defines the physics involved in the Lorentz Force multiphysics coupling.
By default, the applicable physics interface is selected in the Electromagnetic list to apply
the Fluid flow to its physics interface to establish the coupling.

You can also select None from either list to uncouple the Lorentz Force node from a
physics interface. If the physics interface is removed from the Model Builder, for
example Magnetic Fields is deleted, then the Electromagnetic list defaults to None as
there is nothing to couple to.

If a physics interface is deleted and then added to the model again, and in
order to re-establish the coupling, you need to choose the physics
interface again from the lists. This is applicable to all multiphysics
coupling nodes that would normally default to the once present physics
interface. See Multiphysics Modeling Approaches in the COMSOL
Multiphysics Reference Manual.

THE COMBINED INDUCTIVE/DC DISCHARGE INTERFACE | 315

 The Equilibrium Inductively Coupled
Plasma Interface
The 3D version of this physics interface requires an AC/DC Module
license. For theory and physics interface feature descriptions, see the
AC/DC Module User’s Guide.

The Equilibrium Inductively Coupled Plasma ( ) interface is used to study equilibrium

discharges that are sustained by induction currents, for example in inductively coupled
plasma torches. This multiphysics interface adds these single physics interfaces:
Magnetic Fields, Heat Transfer in Fluids, and Laminar Flow. The multiphysics
couplings add special boundary conditions to model the ion and electron heating at
the plasma boundaries as well as heating and cooling of the equilibrium plasma by
enthalpy transport, Joule heating and radiation loss. The multiphysics couplings also
add the Lorentz forces to the hydrodynamics model.

When a predefined Equilibrium Inductively Coupled Plasma interface is added from the
Plasma>Equilibrium Discharges branch ( ) of the Model Wizard or Add Physics
windows, Magnetic Fields, Heat Transfer in Fluids, and Laminar Flow interfaces are added
to the Model Builder. In addition, the Multiphysics node is added, which automatically
includes the multiphysics coupling features Equilibrium Discharge Heat Source, Lorentz
Force, Flow Coupling, and two Temperature Coupling nodes.

On the Constituent Physics Interfaces

The Magnetic Fields interface is used to compute magnetic field and induced current
distributions in and around coils, conductors, and magnets. The Magnetic Fields
interface solves Maxwell’s equations formulated using the magnetic vector potential
and, optionally for coils, the scalar electric potential as the dependent variables.

The Heat Transfer in Fluids interface provides features for modeling heat transfer by
conduction, convection, and radiation. A Heat Transfer in Fluids model is active by
default on all domains. All functionality for including other domain types, such as a
solid domain, is also available. The temperature equation defined in solid domains
corresponds to the differential form of the Fourier’s law that may contain additional
contributions like heat sources.

316 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

The Laminar Flow interface solves for conservation of energy, mass and momentum in
fluids.

For details about predefined multiphysics couplings, see Multiphysics

Modeling Approaches in the COMSOL Multiphysics Reference Manual.

SETTINGS FOR PHYSICS INTERFACES AND COUPLING FEATURES

When physics interfaces are added using the predefined couplings, for example
Equilibrium Inductively Coupled Plasma, specific settings are included with the physics
interfaces and the coupling features.

However, if physics interfaces are added one at a time, followed by the coupling
features, these modified settings are not automatically included.

For example, if single Magnetic Fields, Heat Transfer in Fluids, and Laminar Flow
interfaces are added, COMSOL adds an empty Multiphysics node. You can then choose
from the available coupling features, Equilibrium Discharge Heat Source, Lorentz Force,
Flow Coupling, and Temperature Coupling but the modified settings are not included.

Coupling features are available from the context menu (right-click the
Multiphysics node) or from the Physics toolbar, Multiphysics menu.

TABLE 9-3: MODIFIED SETTINGS FOR AN EQUILIBRIUM INDUCTIVELY COUPLED PLASMA INTERFACE

PHYSICS INTERFACE OR MODIFIED SETTINGS

COUPLING FEATURE

Magnetic Fields No changes

Heat Transfer in Fluids No changes
Laminar Flow No changes
Equilibrium Discharge The Domain Selection is the same as that of the
Heat Source participating physics interfaces. The corresponding Electric
Currents and Heat Transfer in Fluids interfaces are
preselected in the Equilibrium Discharge Heat Source
section.
Lorentz Force The Domain Selection is the same as that of the
participating physics interfaces. The corresponding
Magnetic Fields and Laminar Flow interfaces are
preselected in the Lorentz Force section.

THE EQUILIBRIUM INDUCTIVELY COUPLED PLASMA INTERFACE | 317

 TABLE 9-3: MODIFIED SETTINGS FOR AN EQUILIBRIUM INDUCTIVELY COUPLED PLASMA INTERFACE

PHYSICS INTERFACE OR MODIFIED SETTINGS

COUPLING FEATURE

Flow Coupling The corresponding Laminar Flow and Heat Transfer in

Fluids interfaces are preselected in the Flow Coupling
section (described in the COMSOL Multiphysics
Reference Manual).
Temperature Coupling Two Temperature Coupling nodes (described in the
COMSOL Multiphysics Reference Manual) are generated.
The corresponding Magnetic Fields and Heat Transfer in
Fluids interfaces and the Laminar Flow and Heat transfer
in Fluids are preselected for these nodes.

PHYSICS INTERFACE AND COUPLING FEATURES

Use the online help in COMSOL Multiphysics to locate and search all the
documentation. All these links also work directly in COMSOL
Multiphysics when using the Help system.

Coupling Features
• The Equilibrium Discharge Heat Source and Flow Coupling multiphysics coupling
nodes are described for The Equilibrium DC Discharge Interface.
• The Lorentz Force multiphysics coupling node is described for The Combined
Inductive/DC Discharge Interface.
• The Boundary Electromagnetic Heat Source and Temperature Coupling feature
nodes are described for The Joule Heating Interface in the COMSOL Multiphysics
Reference Manual.

Physics Interface Features

Physics nodes are available from the Physics ribbon toolbar (Windows users), Physics
context menu (Mac or Linux users), or right-click to access the context menu (all
users).

In general, to add a node, go to the Physics toolbar, no matter what

operating system you are using.

• The available physics features for The Laminar Flow Interface are listed in the
section Domain, Boundary, Pair, and Point Nodes for Single-Phase Flow.

318 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

• The available physics features for the heat transfer interfaces are listed in the sections
Domain Features, Boundary Features, and Edge and Point Features in the
COMSOL Multiphysics Reference Manual.
• The available physics features for The Magnetic Fields Interface are listed in the
section Domain, Boundary, Point, and Pair Nodes for the Magnetic Fields Interface
in the AC/DC Module User’s Guide.

THE EQUILIBRIUM INDUCTIVELY COUPLED PLASMA INTERFACE | 319

 Equilibrium Discharges Theory
This theory applies to the Equilibrium DC Discharge, Equilibrium
Inductively Coupled Plasma, and Combined Inductive/DC Discharge
interfaces.

Equilibrium discharges (thermal plasmas) have nowadays a large range of industrial

applications including cutting, welding, spraying, waste destruction, and surface
treatment (Ref. 1).The current methods used for producing thermal plasmas generally
employ high-intensity arcs, inductively coupled high-frequency discharges, or
microwave discharges. The purpose of the Equilibrium Discharge interface is to help
users model thermal plasmas generated by the first two methods (that is, arcs or
inductively coupled discharges). Accordingly, the targeted applications are primarily
DC and inductively coupled plasma torches as well as arc welding devices and circuit
breakers.

Thermal plasmas are assumed to be under partial to complete local thermodynamic

equilibrium (LTE) conditions (Ref. 1). At a macroscopic level, these kind of plasma
can be considered as conductive fluid mixtures, which leads to the
magnetohydrodynamics (MHD) equations. The latter combine the Navier-Stokes,
heat, and Maxwell equations to describe the motion of the conducting fluid in an
electromagnetic field.

The Equilibrium Discharge interfaces are based on a set of assumptions that lead to
simplifications of the MHD equations:

• The plasma is fully ionized (two-component mixture, that is, electrons and ions).
• The plasma is under local thermodynamic equilibrium (LTE) conditions (the
electron temperature Te is approximately equal to the heavy particle temperature,
Th, under low electric field at atmospheric pressure).
• The plasma is considered to be a locally neutral Newtonian fluid mixture.
• The plasma flow is laminar and quasi-incompressible (low Mach number).
• Viscous dissipation and pressure work in the energy equation are neglected.
• The displacement current is negligible (quasi-static approximation, that is, low
frequencies).
• Magnetic diffusion dominates induction by fluid motion (Rem<<1).
• The plasma is optically thin.

320 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

The magnetic Reynolds number (Rem) gives the ratio of induction by fluid motion
over the magnetic diffusion

∇ × ( u × B ) ---------- u0 l0
R em = --------------------------------
-≅ - (9-5)
η∇ B
2 η

Where the magnetic diffusivity coefficient

–1
η = ( μ0 σ )

is the inverse of the product of the plasma conductivity (σ) and vacuum permeability
(μ0). The values u0 and l0 are the velocity and length scale of the system under study,
respectively.

DOMAIN EQUATIONS
Considering the assumptions stipulated above, the Equilibrium discharges can be
described by a set of equations defined in the physics interfaces constituting the
different multiphysics interfaces. Note that all the physics features available in the
individual physics interfaces are also available to the multiphysics interface in use.

Energy conservation (Heat transfer in Fluids interface and Equilibrium Discharge

Heat Source multiphysics coupling feature)
The energy conservation equation is used for all the Equilibrium Discharge interfaces.

∂T
ρC p  + u ⋅ ∇T – ∇ ⋅ ( k ∇T ) = Q (9-6)
∂t 

The source Q (W/m3) defined in the Equilibrium Discharge Heat Source multiphysics
coupling feature includes three source/sink components:

• Resistive heating (ohmic heating)

Q = J⋅E (9-7)

EQUILIBRIUM DISCHARGES THEORY | 321

 The definition of the electric field differs following the physics interface in use.

- Equilibrium DC Discharge interface:

E = – ∇V (9-8)

- Equilibrium Inductively Coupled Plasma interface

∂A
E = – (9-9)
∂t

- Combined Inductive/DC Discharge

∂A
E = –  ∇V +  (9-10)
∂t

• Volumetric net radiation loss Qrad defined by the total volumetric emission
coefficient, which is a material property from Ref. 1.
• Enthalpy transport (energy carried by the electric current)
5k B T
∂  --------------
- ( ∇T ⋅ J ) (9-11)
∂ T  2q 

Note that the enthalpy transport term prevails, for example, in the boundary layers
close to electrodes in a fully ionized electric discharge, Ref. 1.

Momentum Conservation (Laminar Flow Interface)

The momentum conservation equation is used for the Equilibrium Inductively
Coupled Plasma and Combined Inductive/DC Discharge interfaces.

∂u
ρ  + u ⋅ ∇u = ∇ ⋅ – pI + μ ( ∇u + ( ∇u ) ) – --- μ ( ∇ ⋅ u )I + F
T 2
(9-12)
∂t  3

Where μ is the dynamic viscosity of the fluid, I is the identity matrix and

F = J×B

the Lorentz force acting on the fluid defined in the Magnetic Fields interface.

Current conservation (Electric Currents interface)

The Current conservation equation is used for the Equilibrium DC Discharge and
Combined Inductive/DC Discharge interfaces.

∇ ⋅ ( – σ ∇V + J e ) = 0 (9-13)

322 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

The definition of the external current density differs following the physics interface in
use.

- Equilibrium DC Discharge
Je = 0 (9-14)

- Combined Inductive/DC Discharge interface (Induction Current Density

Component multiphysics coupling feature)

∂A
Je = –σ (9-15)
∂t

Ampere’s law (Magnetic Fields interface)

The Ampere’s law equation is used for the Equilibrium Inductively Coupled Plasma
and Combined Inductive/DC Discharge interfaces.

∇ ×  ------------ ∇ × A = J e
1
(9-16)
μr μ0

The definition of the external current density differs following the physics interface in
use.

- Equilibrium Inductively Coupled Plasma interface

Je = 0 (9-17)

- Combined Inductive/DC Discharge interface (Static Current Density

Component multiphysics coupling feature)
J e = – σ ∇V (9-18)

TRANSPORT PROPERTIES
The above equations require specification of material properties, which are functions
of temperature. The Equilibrium Discharge folder in the Material Browser contains
properties for density, specific heat, viscosity, thermal conductivity and electrical
conductivity as a function of temperature up to 24,000 K. Available gases include air,
argon, helium, hydrogen, nitrogen, and oxygen. The data is taken from the tables in
the Appendix of Ref. 1.

BOUNDARY EQUATIONS
The Equilibrium DC Discharge and Combined Inductive/DC Discharge interfaces
include by default cooling/heating of electrodes in contact with the equilibrium

EQUILIBRIUM DISCHARGES THEORY | 323

 discharge Ref. 2.

Ion bombardment and thermionic emission at the cathode

Positive ions from the plasma are accelerated toward the cathode and generates heat at
the electrode surface. As the electrode heats up, more electrons are emitted by
thermionic emission, which cause cooling of the cathode. The associated cathode heat
flux is defined as:

– n ⋅ ( – k ∇T ) = – J elec φ s + J ion V ion (9-19)

Where k is the thermal conductivity (W/(m-K)), φs the surface work function of the
electrode (V) and Vion is the ionization potential of the plasma (V). The ion current
density norm is defined by:

J ion = J ⋅ n – J elec (9-20)

where

J⋅n

is the normal current density at the interface and where


 J (T ), J ⋅ n > JR ( T )
J elec =  R (9-21)
 J⋅n, J ⋅ n ≤ JR ( T )


is the electron current density norm. The latter is defined by Richardson-Dushman

current density if the total normal current density is larger than

qφ eff
J R ( T ) = A R T exp  – ------------
2
(9-22)
kB T

Where AR is the Richardson’s constant (A/(m2K2)), q is the electronic charge (C), kB

the Boltzmann’s constant (J/K) and φeff the effective work function of the surface (V).
Note that the ion current density norm Jion=0 if the Richardson-Dushman current
density is larger than the total normal current at the interface.

Resistive heating at the anode

Electron entering the anode generates heat. Following the approach presented in
Ref. 2, you can assume that there is no ion current and hence no ion heating at the
anode. Accordingly the anode heat flux is defined as:

324 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

 – n ⋅ ( – k ∇T ) = J ⋅ n φ s (9-23)

Where

J⋅n

is the normal current density at the interface, k is the thermal conductivity and φs the
surface work function of the anode. Note that all the physics features available in the
individual interfaces are also available to the multiphysics interface in use. This include,
for instance, radiation heat losses, and wall boundary conditions.

EQUILIBRIUM DISCHARGES THEORY | 325

 Summary of the Equilibrium
Discharge Interfaces Features
The Combined Inductive/DC Discharge contains all the equations necessary to
model a thermal plasma under the assumptions stipulated at the beginning of the
section. The Equilibrium DC Discharge and Equilibrium Inductively Coupled Plasma
interfaces are simplified version of the Combined Inductive/DC Discharge. The
following tables show the physics interfaces as well as the available multiphysics
coupling features involved in each multiphysics interface.

Figure 9-1: Physics interfaces included by default in the multiphysics interfaces.

Figure 9-2: Multiphysics coupling features available by default in the multiphysics

interfaces.

References
1. M. I. Boulos, P. Fauchais, and E. Pfender, “Thermal Plasmas: Fundamentals and
Applications”, Plenum Press, Springer (1994).

2. J. J. Lowke, “A Unified Theory of Arcs and their Electrodes”, J. Phys. IV France

Vol. 7 (1997) C4-283-C4-294.

326 | CHAPTER 9: EQUILIBRIUM DISCHARGES INTERFACES

I n d e x
A absolute pressure 125 boundary stress (node) 135
activation energy 224 bulk node 90
Application Libraries window 22
C capacitively coupled plasma interface
application library examples
theory 277
Boltzmann models 175
capacitor (node) 84
CCP models 263
CFL number
contact impedance 77
settings 123
DC models 263
change cross-section (node) 57
dielectric barrier discharge 49
change thickness (out-of-plane) (node)
drift diffusion 193
58
electric currents 63
charge conservation (node) 43
electrical circuits 113
charge conservation, piezoelectric
electrostatics 40
(node) 58
equilibrium discharges 304
charge relaxation theory 97
flux matching 247
circuit import, SPICE 95
heavy species transport 216
closure law 239
laminar flow 123
collector node 90
Arrhenius coefficients
collision (node) 178
data requirements 29
collisionless heating (node) 271
Arrhenius expressions 224, 246
combined inductive/DC discharge inter-
Arrhenius parameters 222
face 309, 316
B base node 90 common settings 19
bipolar junction transistor 89 contact impedance (node) 75
Boltzmann equation, two-term approxi- coupling, to the electrical circuits inter-
mation interface 172 face 114
theory 180 cross section import (node) 218
Boltzmann model (node) 176 cross-section data
boundary current source (node) 70 electron impact reactions, and 28
boundary nodes importing 33
Boltzmann equation, two-term ap- current source (node) 85
proximation 175, 179 current sources, theory 99
drift diffusion 193 current-controlled current source
electric currents 63 (node) 88
electrostatics 40 current-controlled voltage source
heavy species transport 217 (node) 88
plasma interface 263

INDEX| 327
 D data requirements 28 Einstein’s relation 228, 236, 238
DC discharge interface elastic collisions, data requirements 29
theory 280 electric currents interface 61
DC magnetic field 258 theory 101
device models, electrical circuits 104 electric displacement field (node) 47
dielectric contact (node) 60 electric fields theory 97
dielectric shielding (node) 50 electric potential (node) 45
diffusion and migration (node) 218 electrical circuit interface 81
diffusion models 212–213, 257, 259 theory 103
diffusive flux vector 235, 250, 296 electrical circuits
diode (node) 92 modeling techniques 113
diode transistor model 110 electron cyclotron resonance (ECR) 290
discharges, non-equilibrium 14 electron density and energy (node) 199
distributed capacitance (node) 54 electron energy distribution function 180
distributed impedance (node) 72 electron impact reaction (node) 220
distribution functions 181 electron impact reactions, data require-
documentation 20 ments and 28
domain nodes electron outlet (node) 201
Boltzmann equation, two-term ap- electron production rate (node) 197
proximation 175 electron-electron collisions 182
drift diffusion 193 electrostatic point dipole (node) 60
electric currents 63 electrostatics interface 38
electrostatics 40 theory 97
heavy species transport 217 emailing COMSOL 22
plasma interface 263 emission energy and fluxes 281
drain node 90 emitter node 90
drift diffusion interface 190 enthalpy and entropy 241
theory 202 entrance length 130
drift diffusion model (node) 194 equation of continuity 97
drift velocity 185 equilibrium DC discharge interface 302
drift velocity, calculating 180 equilibrium discharge boundary heat
Druyvesteyn distribution function 181 source (node) 307
Druyvesteyn EEDF 214, 260 equilibrium discharge heat source (node)

E edge nodes 304

electric currents 63 error message, electrical circuits 113

electrostatics 40 exit length 133

plasma interface 263 exporting

EEDF 180 SPICE netlists 118

328 | I N D E X
 external I vs. U (node) 92 importing
external I-terminal (node) 94 cross-section data 33
external surface charge accumulation SPICE netlists 95, 117
(node) 47 induction current density component
external U vs. I (node) 93 (node) 313
inductive power deposition (node) 198
F floating potential (node)
inductively coupled plasma interface 270
electric currents 69
theory 283
electrostatics 52
inductor (node) 84
flow continuity (node) 138
inelastic collisions
flow coupling (node) 306
data requirements 29
flow rate in SCCMs 131
source coefficients, and 207
flux (node)
initial values (node)
drift diffusion 201
Boltzmann equation, two-term ap-
heavy species transport 231
proximation 177
forward rate constants 30
drift diffusion 197
forward sticking coefficients 30
electric currents 67
frequency domain study 102
electrostatics 44
frequency factor 224
Plasma interface 269
frequency factor for reaction 240
single-phase, laminar flow 126
G gas constant 224
inlet (node)
gas phase reactions 30
heavy species transport 232
gas phase solvent 243
single-phase flow 129
gate node 90
insulation (node) 199
Gauss’ law and charge relaxation theory
integrodifferential 202
97
internet resources 20
Gauss’ law equation 99
ion flux 277
general power deposition (node) 198
K kinetic gas theory 242
general stress (boundary stress condi-
Kirchhoff’s circuit laws 103
tion) 135
knowledge base, COMSOL 23
generalized distribution function 181
gravity 141 L laminar flow interface 120
ground (node) 44 laminar inflow (inlet boundary condition)
ground node (node) 83 130
laminar outflow (outlet boundary condi-
H heavy species transport interface 212
tion) 133
theory 234
law of mass action 246
heavy species, required information 30
leaking wall, wall boundary condition 128
I ICP reactors 283
line charge (node) 54

INDEX| 329
 line charge (on axis) (node) 55 mutual inductance (node) 91
line charge (out-of-plane) (node) 55
N NASA polynomials 30, 241
line current source (node) 78
n-Channel MOS transistor 90, 107
line current source (on axis) (node) 78
n-Channel MOSFET (node) 90
line mass source (node)
netlists, SPICE 95, 117
fluid flow 140
neutral gas temperature 30
local
no slip, wall boundary condition 127
CFL number 123
no viscous stress (open boundary) 134
Lorentz force (node) 314
nodes, common settings 19
low-temperature plasmas 14
nomenclature, in the Plasma Module 16
M magnetohydrodynamics equations 320 non-electron species 276
Maxwell’s equations non-equilibrium discharges 14
electrical circuits and 103 normal stress, normal flow (boundary
Maxwellian distribution function 181 stress condition) 135
Maxwellian EEDF 207, 214, 259 NPN bipolar junction transistor 104
Maxwell-Stefan equations 234 NPN BJT (node) 89
metal contact (node) 59
O Ohm’s law and charge relaxation theory
MHD equations 320
97
microwave plasma interface 273
open boundary (node)
theory 283, 287
single-phase flow 134
microwave power deposition (node) 198
outflow (node) 233
modeling plasmas 14
outlet (node) 132
molar enthalpy and entropy 241
P pair contact impedance (node) 75
Motz-Wise correction 229
pair nodes
MPH-files 22
Boltzmann equation, two-term ap-
multicomponent diffusion 235
proximation 175
multicomponent mixtures 244
drift diffusion 193
multiphysics coupling
electric currents 63
combined inductive/DC discharge 309,
electrostatics 40
316
heavy species transport 217
equilibrium DC discharge 302
plasma interface 263
equilibrium discharge boundary heat
p-Channel MOS transistor 90
source 307
p-Channel MOSFET (node) 90
equilibrium discharge heat source 304
Peclet numbers 277
induction current density component
periodic condition (node) 48
313
periodic flow condition (node) 137
Lorentz force 314
physics interfaces, common settings 19
static current density component 312

330 | I N D E X
 plasma 256 source node 90
plasma model (node) space charge density (node) 44
plasma interface 264 species (node) 220, 225, 268
plasma reactor theory 274 species dipole moment 243
PNP BJT (node) 89 spf.sr variable 126
point charge (node) 56 SPICE
point charge (on axis) (node) 57 exporting 118
point current source (node) 78 SPICE netlists 14, 95, 117
point current source (on axis) (node) 79 standard cubic centimeters per minute
point mass source (node) 131
fluid flow 140 standard flow rate 131
point nodes standard settings 19
electric currents 63 static current density component (node)
electrostatics 40 312
plasma interface 263 static pressure curves 136
Poisson’s equation 16 steady-state condition 282
predefined couplings, electrical circuits sticking coefficients 246
114 Stiel-Thodos equation 243
pressure point constraint (node) 139 stoichiometric coefficients 246
pseudo time stepping stoichiometric matrix 240
settings 123 study types
electric currents 102
R rate expression for species 235
subcircuit definition (node) 89
reaction (node) 223
subcircuit instance (node) 89
reaction rate 240
surface charge accumulation (node) 49
reflection coefficient 209
surface charge density (node) 46
resistor (node) 83
surface reaction (node) 220, 229
RF cycle 277, 283
surface reactions 30
S SCCM, flow rate in 131
surface reactions, theory 245
sector symmetry (node) 77
surface species (node) 230
SEMI standard E12-0303 131
symmetry (node) 133
semiconductor device models 104
T technical support, COMSOL 22
shear rate magnitude variable 126
temperature exponent 224
single-phase flow interface
temperatures, ranges for 227
laminar flow 120
terminal (node)
sliding wall 128
electric currents 73
slip velocity, wall boundary condition 127
electrostatics 50
slip, wall boundary condition 127
theory
source coefficients 206, 275

INDEX| 331
 Boltzmann equation, two-term ap- drift diffusion 199
proximation 180 single-phase flow 127
capacitively coupled plasma interface weakly ionized 204
277 websites, COMSOL 23
DC discharges interface 280
Z zero charge (node) 44
drift diffusion 202
zero energy flux (node) 179
electric currents interface 101
zero probability (node) 179
electric fields 97
electrical circuit interface 103
electrostatics interface 97
heavy species transport 234
inductively coupled plasma interface
283
microwave plasma interface 283, 287
plasma reactors 274
source coefficients 206, 275
thermal conductivity 243–244
thermal creep, wall boundary condition
128
thermionic emission 193
thermodynamic polynomials 227
thermophoretic effects 226
thin low permittivity gap (node) 48
time dependent study 102
Townsend coefficients 185
Townsend coefficients theory 206, 275
traction boundary conditions 135
transformer (node) 91

V vacuum pump (node) 136

velocity (node) 198
viscous slip, wall boundary condition 127
voltage source (node) 84
voltage-controlled current source
(node) 87
voltage-controlled voltage source (node)
87
volume force (node) 126

W wall (node)

332 | I N D E X