COMSOL

www.comsol.com 2015

NEWSTHE MULTIPHYSICS SIMULATION MAGAZINE

Modeling and
Simulation for
EVERYONE
P. 4

INNOVATIVE BUILDING
DESIGN AT NEWTECNIC
P. 25

THE SWEET SIDE OF

SIMULATION AT NESTL
P. 10
CONTENTS

HOW DO I CREATE THE BEST

DESIGN AND SHARE MY CONTENTS
SIMULATION EXPERTISE? COMSOL VERSION 5
That is the question that engineers, designers, and researchers often ask 4 Modeling and Simulation
themselves. This issue of COMSOL News is dedicated to them, as we discuss for Everyone
the paradigm shift happening in the simulation industry, which began with
the release of COMSOL Multiphysics version 5 and the Application Builder.
USING SIMULATION APPS
As you will find out if you jump directly to page 4, sharing your simulation
5 Optimizing 3D Printing
expertise in an easy and efficient way is now possible using the Application
Builder. Experts can now build simulation appsspecialized user interfaces
Techniques with
to access their models. These COMSOL users are motivated by their Simulation Apps
relentless drive for innovation and are leveraging new modeling tools that
are customizable, adaptable, and accurate in their handling of the physics HOW TO BUILD AN APP
involved. They are also sharing their work in such a way that anyone can
benefit from it. Thats when the ability to build a simulation app fuels the 7 Application Builder and
shift towards modeling and simulation for everyone. COMSOL Server: A
Review
And how can we create the best design? With the right tools, of course,
and by learning from our peers. In this edition of COMSOL News, we cover
the work of simulation experts from a wide range of industries. Food
processing at Nestl, building physics and architectural design at Newtecnic,
corrosion protection in automotive applications at Daimler, laser-matter
interaction at Lawrence Livermore National Laboratory, 3D printing at TNO,
and many more.

We appreciate the generosity of COMSOL users who have shared their FOOD PROCESSING TECH
10
modeling work and best practices. It has been inspiring to work with them
and we hope you will find the stories here useful. v The Sweet Side of
Simulation: Behind the
Enjoy!
Scenes at Nestl
Valerio Marra
Technical Marketing Manager AUTOMOTIVE
COMSOL, Inc.
14 Defending Automotive
Components Against
INTERACT WITH THE COMSOL COMMUNITY Corrosive Destruction
BLOG comsol.com/blogs
FORUM comsol.com/community/forums
LINKEDIN linkedin.com/company/comsol-inc.
FACEBOOK facebook.com/multiphysics
TWITTER twitter.com/comsol_inc
GOOGLE+ plus.google.com/+comsol
We welcome your comments on COMSOL News; contact us at [email protected]
OPTICS REPAIR

EDITOR Alexandra Foley, Technical Marketing Writer, COMSOL, Inc. 17 Simulating Laser-Material
Interactions
COMSOL
2015 COMSOL. COMSOL News is published by COMSOL, Inc. and its
associated companies. COMSOL, COMSOL Multiphysics, Capture the Concept,
PHOTOVOLTAIC MATERIALS
NEWS
COMSOL Desktop, COMSOL Server, and LiveLink are either registered
trademarks or trademarks of COMSOL AB. All other trademarks are the

2015
property of their respective owners, and COMSOL AB and its subsidiaries and
products are not affiliated with, endorsed by, sponsored by, or supported by
those trademark owners. For a list of such trademark owners, see
20 Simulations for Solar
www.comsol.com/trademarks

2 COMSOL NEWS
 APPLICATION AREA

MATERIALS SCIENCE
22 Virtual Material Design
in 3D Printing Makes
Headway with Multiscale
Modeling

BUILDING PHYSICS
25 Optimizing the
Performance of Complex
Building Faades

ACOUSTIC ENGINEERING
28 Precision Performance:
The Pursuit of Perfect
Measurement

FEATURED
BIOFUELS
31 Making Biofuel a Cost-
Effective, Renewable
Source of Energy
SUSTAINABLE ENERGY
TNO
VIRTUAL MATERIAL DESIGN IN 3D PRINTING
22
34 Better Ways to Heat and MAKES HEADWAY WITH MULTISCALE MODELING

14
Cool Buildings

5
DAIMLER AND HZG
COMSOL BLOG DEFENDING MTC
37 COMSOL Blog Shares AUTOMOTIVE OPTIMIZING
the Latest in Multiphysics COMPONENTS SHAPED
AGAINST METAL DEPOSITION
Simulation TECHNIQUES WITH
CORROSIVE
DESTRUCTION SIMULATION APPS
GUEST EDITORIAL
Researchers at the Manufacturing
Simulation of hybrid material car
38 Simulation Apps Bring Us
components and joints enables
Technology Centre use simulation
Closer to Mars innovative design for corrosion
apps to explore the 3D metal
printing technique shaped metal
protection in automotive applications.
deposition (SMD).

34
FRAUNHOFER ISE
BETTER WAYS TO HEAT AND COOL
BUILDINGS
COMSOL VERSION 5 AND BEYOND

Modeling and
This all means that a small group
of people is servicing a much larger
group of people working in product

Simulation for
development, design, or production.
Simulation models are oftentimes
so complicated that the person who

EVERYONE
implemented the model is the only one
who can safely provide the input data
needed to get useful output. Hence, we
have a bottleneck.
by SVANTE LITTMARCK
THE SOLUTION
In order to make it possible for this
small group to service a much larger
Scientists like Newton, Maxwell, and others have given us the group, there is an obvious solution:
mathematical models, the laws of science, that make it possible Create a simulation package that
to accurately predict how physical objects and systems will develop makes it possible for the simulation
in space and time given certain boundary conditions and initial expert to build an intuitive and specific
conditions. Applied mathematicians have invented numerical user interface for his or her otherwise
methods that can generate numbers and graphics to accurately general modela ready-to-use
describe the solution to those laws. application. The application should
This makes it possible for us to simulate, modify parameters, and include user documentation, checks for
ultimately make a betterif not the bestdesign. input within bounds, and predefined
The physics, the math, the computational tools, and the reports at the click of a button. A
engineering community are all in place to achieve wonders using simulation application with these
simulation. Sending exploration vehicles to the surface of Mars capabilities makes it possible for a user
that report back to Earth and creating communication devices like to avoid accidental input errors while
cell phones and GPS are just two examples. keeping the focus on relevant output
Many breakthrough technological innovations have seen details. The application can then be
daylight in the last several decades. But many areas that would shared with a larger group of users.
benefit greatly from simulation remain almost untouched by the Making this happen is easy
powerful computational tools available today. Why is this? compared to the achievements listed
in the beginning of this article. It
THE OBSTACLES is happening as you read this. The
It is a fact that current computational tools are so complicated to use spread of simulation applications will
that there are very few engineers trained to do itat least compared be immediate. No design engineer will
to the number of potential beneficiaries. The setup of mathematical want to be left behind. No company
models needs to be done by a mathematician or a physicist. Model can afford to let their competitor get
simplifications are necessary in order to save computational time, an advantage through earlier adoption.
memory, and solution data management. Negligible phenomena Eventually, consumers will be running
should be ignored. The phenomena that should be ignored depend simulation applications to make better
on the application and what is to be achieved. Understanding which purchase decisions. v
physics phenomena to include, which to leave out, and how to
model their effects requires a modeling expert.
Once the model is set up, solving the equations numerically means
replacing the continuous differential equations with discretized
difference equations and points in space and time. The discretization
must be done in such a way that the solution to the difference
equation converges to the solution of the differential equation.
Otherwise, it has no physical meaning. Additionally, in order to
obtain an accurate solution, the discretization must be fine enough.
There are theories for good default numerical solver settings for
many physics areas, but they are not all the same. Sometimes, it takes
a numerical analysis expert to define the solver settings.
As a result, the typical user of a simulation package is someone
who holds a PhD or an MSc and has several years of experience in
modeling and simulation. The user also underwent thorough training
to use the specific package. He or she typically works as a scientist in a
big organizations research and development department. It is up to
that person to employ his or her expertise to create and validate the Svante Littmarck, co-founder and CEO of
model and the simulation results. the COMSOL Group.

Originally published in the January 2015 edition of Desktop Engineering magazine.

MTC, UK

Optimizing 3D Printing Techniques

with Simulation Apps
by ALEXANDRA FOLEY

Taking a new technology concept from research in its infancy MTC is research into the additive manufacturing technique
to a qualified solution ready for industrial use requires known as shaped metal deposition (SMD).
rigorous testing and validation. Additive manufacturing SMD has multiple advantages over powder-based additive
(3D printing), for example, first appeared in the early 1980s manufacturing technologies, says Borja Lazaro Toralles, Research
with a Technology Readiness Level (a method of measuring Engineer in the MTCs Manufacturing Simulation theme, who
a technologys maturity for industry use that was proposed has used COMSOL Multiphysics software to design a model and
by NASA in the 1970s) of TRL 1, and it took decades simulation app of the SMD process (see Figure 1). Among the
before it exploded on the industrial markets as a hot new benefits of SMD are higher deposition rates, the possibility of
manufacturing technique set to change the world. building new features upon preexisting components, or even the
use of multiple materials on the same part.
SIMULATING SHAPED METAL Unlike other additive manufacturing techniques that use
DEPOSITION lasers to melt a thin layer of powder, SMD deposits a sheet
Organizations such as the Manufacturing Technology Centre of molten metalwhich in some cases can be as expensive
(MTC) in Coventry, UK help to bridge the gap between as titaniumthat is built up layer-by-layer on a surface in a
concept and industry by providing the resources necessary to process that is similar to welding. One of the challenges of
bring a design from fundamental research (TRL 1TRL 3) to this is that thermal expansion of the molten metal can deform
commercial use (TRL 7TRL 9). One current endeavor at the the cladding as it cools, resulting in a final product that is

FIGURE 1. Shaped metal deposition (SMD) simulation app created using the Application Builder available in COMSOL Multiphysics.
The app computes the residual stresses generated during the manufacturing process and predicts the final deflection of the part.

COMSOL NEWS 5
LEVERAGING SIMULATION APPS

different than what was anticipated, describes

Lazaro Toralles. In order to predict the outcome
of a proposed design, we need either to minimize
the deformations or alter the design to account
for them. Figure 2 shows an example of a part
manufactured using SMD, where deformation
occurs after six layers of deposited molten metal
have been added. A model of the part, also shown
in Figure 2, is used to predict the parts deflection
during manufacturing, allowing the designer to
update the design accordingly.

COMMUNICATING COMPLEXITY
WITH SIMULATION APPS
The MTC has leveraged the Application Builder in
order to more efficiently communicate complex
design ideas across multiple simulation and FIGURE 2. During the SMD process, thermal cycling induces residual
process departments, and to allow app users to stresses on the manufactured parts. Top: Simulation of the SMD part.
easily explore the outcome of proposed designs Middle: The part after just one deposited layer, with no noticeable
(see Figure 1). Were it not for the simulation app, deformation. Bottom: After six deposited layers, deformation is visible to
the testing and validation of a design would be the naked eye.
significantly more time consuming and costly
using physical testing alone, due to the materials
used in SMD.
Simulating SMD involves solving a time-
dependent coupled thermomechanical analysis
that predicts residual thermal stresses and
deformation, which arise from SMD thermal cycles.
We built an app using the Application
Builder that allows the user to predict whether
the deposition process will produce parts that
fall within their established tolerances, says
Lazaro Toralles. If not, then the app provides a
user-friendly and cost-efficient way to simulate
multiple variations to the input until the results
achieve an acceptable final deformation.
With this app, users can easily experiment with
various geometries, heat sources, deposition
paths, and materials without concern for the The MTC team comprising Adam Holloway (left), Borja Lazaro Toralles
underlying model complexities. Two predefined (center), and Willem Denmark (right) have implemented the COMSOL
parametric geometries are included in the app, model, carried out experimental validation, and finally created the SMD
and a custom geometry can also be imported. COMSOL application.
Currently, the app is being used by members
of the team at the MTC who do not have the simulation
experience to independently explore different parts and ABOUT THE MANUFACTURING TECHNOLOGY
projects for their customers. Were it not for the app, our CENTRE
simulation experts would have to test out each project we The MTC provides a unique environment for
wanted to explore, something that would have decreased the developing cutting-edge technologies into
availability of skilled resources, says Lazaro Toralles. Using manufacturing processes by bringing the UK's
the Application Builder, we can now provide user-friendly app leading academics, engineers, and industry
interfaces to other MTC teams. The MTC will also offer an professionals together to develop and demonstrate
app program for their customers. new technologies on an industrial scale. This
The use of simulation apps will help us to deploy allows clients to develop new manufacturing
technologies at higher TRLs for their practical use in an processes in a safe, neutral industrial setting
industrial environment, Lazaro Toralles concludes. The without the constraints of a commercial production
Application Builder provides us with a powerful development environment. Their members include over 80
platform through which we can package complex multiphysics organizations, including BAE Systems, GKN, HP, GM,
models and make them accessible to the wider public. v Airbus, and Rolls Royce.

6 COMSOL NEWS
ZINK IMAGING, MA, USA

APPLICATION BUILDER AND

COMSOL SERVER: A REVIEW
by WILLIAM T. VETTERLING

COMSOL Multiphysics software version 5.0 introduces Voltage may be applied

something new to the modeling enterprise: The Application to selected electrodes of
Builder, and its counterpart, COMSOL Server. The the print head to heat
Application Builder allows the modeler to sweep away the corresponding portions
detail-oriented tools that were used to produce a model and of a resistive film, and
to fashion a more approachable applicationan appthat is the purpose of the model
intuitive and easy to use. is to discover the final
The app may have a simple interface constructed with an temperature distribution
assortment of buttons, lists, menus, graphics, and text to in the film.
make its operation straightforward. It may be launched from To implement the
within the COMSOL Multiphysics program. But, importantly, model as an app, I used
it may also be lifted entirely from that feature-rich the Application Wizard.
environment with the help of a worldwide COMSOL Server The wizard starts with a
license. In the latter case, the app may be run as a standalone COMSOL software model
application, or as a web resource within a browser. and assembles lists of FIGURE 1. Idealized print head
There are many scenarios in which the Application Builder elements from the model schematic.
will find potential uses. With an app, modeling results may be that are suitable for use
presented in the form of live, real-time examples rather than as inputs and outputs,
static summaries in charts and graphs. Likewise, apps may be modeling operations, and graphics.
constructed for use in lectures or demonstrations. Companies I selected the number of electrodes and their width as
may offer simulation apps demonstrating their products inputs, a command that constructs the geometry and another
performance, to be used in place of data sheets, or may that executes the model as operations, and plots of the
produce licensable apps as
products in their own right.
In brief, the Application
Builder is a new line of
communication between
the professional modeling
expertise of the model
builder, and the science and
engineering expertise of
model users.

HOW TO BUILD
AN APP
Creating an app is easy
enough to try. I began
with a functioning
COMSOL Multiphysics model
that I wanted to turn into an
app. I chose to use a simple
3D model of the current
distribution and heating
of a multi-pixel thick-film
thermal print head such
as might be used in a fax
machine (see Figure 1). FIGURE 2. A screenshot of the app I built using the Application Wizard.

Abridged piece, originally published in February 2015 on the Physics Today website. COMSOL NEWS 7
HOW TO BUILD SIMULATION APPS

object geometry and the surface temperature as graphics.

With these selections, the result was a working app that
has input or display boxes for the input/output data, buttons
for the actions, and display panels for the graphics. The app
components, or widgets, are displayed on a canvas, and
can be dragged with the mouse to suitable locations for an
attractive interface. A Test Application button allows me to
launch the new app and test its features from within the
COMSOL design environment. Figure 2 shows the app I built
from my model using the Application Wizard.

FULL POWER AHEAD

The Application Wizard is quick and produces a user-friendly
version of a model in just a few minutes, but it does not
exercise the full power of the Application Builder. If I want
to build something a bit more impressive, an array of tools
can help assemble fully featured apps. For that purpose, the
Application Builder has two sub-tools: the Form Editor and
Method Editor.
The Form Editor is primarily used to generate the page
layouts that comprise an app. It offers a wide selection of
graphical user interface widgets, and users specify sequences
of actions associated with each of them. Examples include
buttons, check boxes, combo boxes, radio buttons, text
boxes, sliders, and tables. The Form Editor also offers a
progress bar, a message log, an equation widget displaying FIGURE 3. Apps built using the Application Wizard can be
formatted LaTeX equations, and a results table. embellished later with forms and other enhancements.
The second sub-tool is the Method Editor, which is
essentially a Java programming environment that allows the lower right to track the progress.
users to combine the COMSOL interface with Java programs On completion, the model sounds a chime and prepares
and libraries in order to add additional functionalities. several report pages with further results: One is a 1D cut
The Method Editor also has capabilities related to modeling. through the 2D surface temperature data to show the
As a Java programming environment, it can, of course, temperature profile through the centers of the pixels, while
implement Java code, classes, and libraries from any source. two others normalize the temperature data and apply the
However, it can also interact with the COMSOL model tree and typical response curve of an indium antimonide detector.
the COMSOL API in a number of useful ways. For example, a This is the distillation of my few hours with the Application
recording feature allows users to turn on the recorder, carry Builder. Creating an easy-to-use interface is not an onerous
out operations in the model tree (such as creating a graph, or task, and there is satisfaction, even for a skilled model
specifying a mesh), and then turn off the recorder to find the builder, in seeing the clutter removed before setting about
equivalent Java code added to the method. using a model productively.
The major contribution of the new tools added in
FURTHER EMBELLISHMENTS COMSOL Multiphysics 5.0 is the ability to integrate the
After attending a COMSOL workshop on the Application development into a single tool, to greatly simplify the
Builder and reading Introduction to Application Builder, I interaction with the API, and to provide a standalone server
spent a day embellishing the original app. The new app, that is separate from the detail-oriented model development
shown in Figure 3, has a toolbar at the top and has the tasks tools. This change promises to make the user interface a more
of geometry definition, model execution, and display of natural and commonplace part of the model development
results divided into separate pages. The first of the tabbed process, and to engage a much wider
windows allows specification of the print head pixel count and audience in the use and appreciation
dimensions, and then draws the print head (the geometry is of multiphysics models. v
also constructed and resized to fit in the graphics window).
The second tab of the app, which is shown in Figure 3,
has two functions. The selection box produces a drawing of William T. Vetterling is a research fellow
the geometry in the graphics window. This is a live drawing, and manager of the Image Science
and clicking any of the electrode boundaries results in Laboratory at Zink Imaging, as well as a
the application or removal of a voltage on that boundary. co-author of the Numerical Recipes
Clicking the Compute button carries out the meshing and series of books and software.
solving operations during which a progress bar appears on

8 COMSOL NEWS Oracle and Java are registered trademarks of Oracle and/or its affiliates.
 Monika Weber, Founder and CEO of
Integrated Microfluidic Devices, was
the Grand Prize Winner of the 2011
Create the Future Design Contest.

Mark Wagner, President

of Sensorcon, Inc.
Grand Prize Winner of the
The team at SunFriend
2012 Create the Future
Corporation (l-r): Leonard Egan,
Design Contest.
Siddharth Potbhare, Karin
Edgett, and Shahid Aslam
(not pictured Tariq Aslam).
Winners of the 2011 Consumer
Product Category.

The Future Starts With

You
Salim Nasser (left),
CTO and Co-Founder of
Rowheels, Inc., was the
Grand Prize Winner of
the 2010 Create the
Future Design Contest.

Bill Zebuhr, Co-CEO and CTO

of Aquaback Technologies.
Sustainable Technologies
Category Winner of the 2012
Create the Future Design
Contest.

THE

Your future starts here:

www.createthefuturecontest.com DESIGN CONTEST 2015

S P O N S O R E D B Y C A T E G O R Y P R I Z E
S P O N S O R S S P O N S O R

COMSOL NEWS 9
 COMPANY

The Sweet Side of

Simulation Behind
the Scenes at
Nestl

Researchers at the Product Technology

Centre in York, UK use simulation to
perfect chocolate production at Nestl.
by ALEXANDRA FOLEY

Aero 10 COMSOL
and KIT KAT NEWS
are registered trademarks of Societe des Produits Nestle S.A. Corporation Switzerland
 QUALITY ASSURANCE | FOOD PROCESSING TECHNOLOGIES

At Nestl, the research, design, and

manufacturing that goes into producing
one perfect bar of chocolate candy is
a mesmerizing process, not entirely
different from the spectacular world
of Willy Wonkas chocolate factory.
While there may not be umpa-lumpas
overseeing candy production, a lot of
thought and quite a bit of simulation
goes into perfecting the process.
Engineers at Nestls Product
Technology Centre in York, UK (PTC
York) work, among other things, on
the research and development of three
different products: a chocolate depositor
for making candy bars; a wafer baking
plate; and an extruder, used to cook and
sort cereals at the same time. At PTC
York, which is home to the research and
development of Nestls confectionery
products, engineers rely on multiphysics
simulation to optimize and streamline
the production process.

CHOCOLATE R&D
Candy bars, such as Kit Kat, Aero,
Crunch, and solid milk chocolate
bars are produced using a chocolate
depositor that fills a mold with molten
chocolate. Chocolate enters the
depositor via an arm at the top and
exits into a mold through each of the
nozzle tips (see Figure 1).
Ensuring that the amount of FIGURE 1. Top: SOLIDWORKS software geometry of the depositor. Bottom: COMSOL
chocolate in every bar is consistent Multiphysics simulation showing the magnitude of chocolate flow in the depositors
means that the flow rate and pressure nozzles and flow channels.
of the chocolate exiting each nozzle
must be the same, says William Pickles,
a process engineer at Nestl. Not only
do we need to make sure that each
chocolate bar is the same weight for
cost effectiveness and standardization,
but we are also committed to
guaranteeing that the calorie
information on the package is correct as
well. This allows us to deliver products
with exact nutritional content that fit
in with our customers' balanced diets.
In order to achieve this standardization,
the uniformity in flow and pressure
between each nozzle tip must be
precise to within a narrow margin.
To achieve this consistency, Nestl
uses a combination of modeling
and simulation tools. The chocolate
depositor shown in Figure 1 was first FIGURE 2. Probes located at each of the nozzle tips and in the flow channels
designed using SOLIDWORKS software demonstrate that the chocolate flow rate and pressure within the depositor and nozzles
and the geometry was then imported vary within specifications. Streamlines show the direction of chocolate flow.

SOLIDWORKS is a registered trademark of Dassault Systmes SolidWorks Corp. COMSOL NEWS 11

 QUALITY ASSURANCE | FOOD PROCESSING TECHNOLOGIES

into the COMSOL Multiphysics determined the differences in flow

simulation software for analysis. between each of the depositor needles.
Simulation was used to perform fluid Numerical probes in the flow channels
flow optimization, test mechanical and at the tips of the nozzles were
stress, and analyze the thermal used to analyze conditions at certain
properties for a particular geometry. locations of the geometry.
Every chocolate manufacturer has
a. their own special recipe that produces
By optimizing the depositor design,
we were able to achieve a flow rate
chocolate with unique characteristics, through each of the nozzles that
says Pickles. We were able to fully is consistent to within a tenth of a
model the non-Newtonian behavior of percent of the desired value, says
Nestls signature chocolate by setting Pickles. These results of this simulation
up a simulation where an experimental are shown in Figure 2.
curve relating the shear rate to the
b. shear stress of the fluid was imported SIMULATION SAVES THE
into the software. This way, we were CRUNCH
sure that we were modeling chocolate What would a Kit Kat be without the
with the same fluid properties as the well-known snap of the wafer baked
c. real product. inside? When baking a wafer, uneven
Using simulation, the team identified heating can cause different moisture
areas of high and low flow rates and concentrations within the wafer,
ruining its crunchy texture
or even causing it to
spontaneously snap.
The wafer baking
process at Nestl uses
two baking plates that
compress the batter
between them (see Figure
3). During baking, the
FIGURE 3. Two wafer-baking plates (a) plates are passed above a
are used to bake Kit Kat wafers. The series of about 40 flames.
top and bottom plates compress the We are using
batter (b), while the flame underneath simulation to optimize
the plates bakes the wafer (c). the baking plate design
by looking at the flow
of hot air below and
around the plates to

Every chocolate FIGURE 4. Airflow around the baking plates.

ensure that we have an

manufacturer has
their own special
recipe that produces
chocolate with unique
characteristics. We
were able to fully
model Nestls
signature chocolate
using COMSOL
Multiphysics.
WILLIAM PICKLES, PROCESS FIGURE 5. Left: Temperature distribution in the baking plates supporting frame.
ENGINEER AT NESTL Right: Temperature profile at the surface of the top baking plate, where warmer
spots can be seen at the location of the bolts (white circles).

12 COMSOL NEWS Aero and KIT KAT are registered trademarks of Societe des Produits Nestle S.A. Corporation Switzerland
 QUALITY ASSURANCE | FOOD PROCESSING TECHNOLOGIES

even temperature profile across the to make certain types of cereals

plates' surfaces, describes Pickles. works by forcing dough through a
Our aim for this study is to correct die. The pressure and friction created
burner power and orientations to give during this process causes the dough
the best wafer, while simultaneously to cook through viscous heating,
reducing the amount of fuel we says Pickles, referring to the extruder
use. This fits with Nestls policy shown in Figure 6. Extruders are
of continually seeking to improve common because they are a compact,
efficiency in all of its manufacturing cost-effective way of manufacturing
processes. products.
The flames underneath the baking Pickles is working on designing
plates were modeled as jets of hot air, the housing for a viscometer that
where heating proceeds via convection. can be placed within the extruder to
Figure 4 shows the profile of the flame measure the viscosity of the dough
underneath the baking plate and the entering the die. This will ensure
airflow around the plate. consistent quality of the dough
We were able to validate our so that it will cook in a predictable FIGURE 6. Extruder geometry.
model against baking plates used in manner. For our design, we needed to
experiments, and we found that our make sure that the viscometer housing
simulation results were in very good could withstand the high pressure BETTER, SAFER
agreement, says Pickles. The results within the device, says Pickles. PRODUCTS WITH
also show how warmer spots occur due In the original extruder design, MULTIPHYSICS SIMULATION
to increased heat conduction through the pressure was too high for the At Nestl, simulation is a big part of
the bolts holding the baking plates viscometer housing to withstand. the design process, from producing
together (see Figure 5). We redesigned the housing, which chocolate to wafers to cereals and
The next step will be to optimize helped to reduce the pressure. We everything in between. Since Nestl
this design to distribute the heat as were then able to make sure that products are going to be consumed by
evenly as possible across the top of the die design didnt exceed the our customers, we need to be able to
the plate and minimize temperature yield stress so that the viscometer ensure that our designs will hold up
peaks, says Pickles. could safely be housed inside it, says in the real world, concludes Pickles.
Pickles. Additionally, simulation was We are confident in the results
COOKING WHILE used to check that the displacement obtained from our simulations, and
EXTRUDING of the extruder was consistent, as we know that they can be trusted to
Cereals such as Cheerios, Trix, varying displacement of the device help us produce the best and safest
Nesquik, and many others are made at would cause the cereal being designs possible. This in turn allows
Nestl using an extruder. The high- produced to have uneven shapes and us to consistently deliver tastier and
temperature extruder used at Nestl sizes (see Figure 7). healthier products. v

FIGURE 7. Viscometer housing and die simulation results. Left: Contour of von Mises stress. Right: Slice plot of the total displacement.

Cheerios, Nesquik, and Trix registered trademarks of General Mills IP Holdings II, LLC COMSOL NEWS 13
DAIMLER, GERMANY AND HZG, GERMANY

Defending
Automotive
Components
Against Corrosive
Destruction FIGURE 1. Left: Clean rivet. Top right: Rivet
showing magnesium hydroxide deposit (white
Simulation of hybrid material car components growth) due to corrosion. Bottom right:
Magnification of a rivet in a test sheet.
and joints enables innovative design for corrosion
protection in automotive applications. that metallic ions are being exchanged
and degrading the surface of the metal.
Different metal combinations react
by LEXI CARVER differently to environmental influences,
and a number of factors such as joining
techniques, material properties,
Glance at a bridges support beams culprit whose handiwork is often only
and surface roughness affect the
while stuck in traffic, examine the door noticed once it is too late: corrosion.
chemical reactions occurring on rivets
of an airplane while waiting to board,
and the sheets they bind together.
or check around the hood of your car, THE CLASH OF METAL- Hence, understanding the underlying
and you will see the small, round heads ON-METAL: GALVANIC electrochemistry is essential to
of rivets holding different surfaces CORROSION developing robust corrosion protection.
together. Found in metal-bodied Galvanic corrosion is an omnipresent Eager for faster testing and better
vehicles and support structures across process that costs the automotive protection methods, engineers at
the transportation industry, these rivets industry billions of dollars each year. Helmholtz-Zentrum Geesthacht
usually go unnoticed despite their role Caused by chemical reactions between (HZG) and Daimler AG joined forces
in joining components that withstand different metals coming into contact to investigate corrosion prevention
enormous mechanical stress. Some cars with one another, this type of corrosion using multiphysics simulation. HZG
contain over 2,000 of them. in some cases is visible as a white is a German institute focusing on
As automotive design trends move powdery growth that forms materials, medical technology, and
toward lightweighting and the use of on the surface of metal parts (see coastal research; Daimler AG is the
multiple metals, so do the questions Figure 1, top right). Bubbling paint and manufacturer of the highly-revered
surrounding a destructive, invisible deteriorating aluminum are telltale signs Mercedes-Benz automobiles. The two

FIGURE 2. Left: Geometry depicting half of a punch rivet joint in COMSOL Multiphysics software. Right: Simulation results
show the current density at the surface of the rivet and sheet metal. The simulation mathematically models current flow at the
rivet-sheet interface; the highest current density occurs at the sharp edge.

14 COMSOL NEWS
 CORROSION PROTECTION | AUTOMOTIVE

and the sheets experiences corrosion,

the magnesium sheet begins to degrade
more rapidly than the other metals. The
chemical reaction produces magnesium
hydroxide (Mg(OH)2) that forms a weak
barrier film on the surface. Growth
in this deposit layer actually increases
resistance to further corrosion, hindering
its own progress. A complete stop cannot
be reached because of the porosity of
the Mg(OH)2, however, and the growth
continues deeper into the metals.
In order to determine the electric
current distribution and analyze the
chemical response, Hche needed to
account for this non-constant growth
and the influencing material properties.
Using the Chemical Reaction Engineering
Module and Batteries & Fuel Cells
Module, two add-ons to the COMSOL
software, he treated the rivet and the
sheet metal like a set of electrodes. This
allowed him to assess how the anode/
FIGURE 3. COMSOL software plot showing the localized current density at cathode area ratio, the electrolyte
different positions on the surface of the rivet joint. exposure duration, and the changes in
electric current due to Mg(OH)2 buildup
contributed to magnesium degradation.
teams sought ways to streamline rivet geometry to simulate the presence of a Since the porosity directly affects
design and development, minimize sharp edge, which increases gradients the barrier properties, the resulting
physical testing, and reduce the need in the electrolyte potential. This in turn surface topology is influenced by the
for subsequent steps such as surface increases current flow and hastens the downward degradation velocity and the
treatment. electrochemical reactions that cause opposing growth of the deposit. Basic
galvanic corrosion. galvanic current density computations
MULTIPHYSICS MODELING As the interface between the rivet
OFFERS INSIGHT INTO
CORROSION KINETICS
To study galvanic corrosion kinetics,
including material loss, surface
conditions, and the long-term behavior of
the interacting metals, Dr. Daniel Hche,
scientist at HZG, created a simulation
of a steel punch rivet joint using the
COMSOL Multiphysics software. The rivet
is plated with an aluminum-zinc alloy
that acts to cathodically protect the steel.
The software allowed Hche to analyze
the electrochemical interactions at the
surface and edges of the rivet, predict the
decay of the adjoined sheets, and adjust
the geometry to minimize corrosion.
His model consists of the rivet,
bonded metal sheets of aluminum and
magnesium, a 0.1% NaCl electrolyte
layer on the surface representing the
FIGURE 4. A corrosion test on a galvanized steel sheet showing visible corrosion
outside environment, and a galvanic
in the scratched layers (view from above). Bsch created several initial scratches of
couple at the interface between the
varying depths and widths in order to analyze the influence of the scratch size on
rivet and the sheets (see Figure 2). He
the delamination process. Results are shown after one week (top) and five weeks
also added a corner bur in the rivet
(bottom).

COMSOL NEWS 15
CORROSION PROTECTION | AUTOMOTIVE

FIGURE 5. Left: Close-up of a cross-section of the test sheet where a scratch has destroyed part of the e-coat and zinc layers.
Right: The COMSOL Multiphysics software results showing the electric potential in the e-coat and electrolyte. The white region
indicates the remaining zinc after much of it has already been consumed.

were modified by these layer growth and allow moisture and environmental ratio and more limited diffusion is
aspects, Hche commented. This led electrolytes access to electrically conductive present in the narrower scratches, which
us to study time-dependent variations surfaces. In car paneling, small impairments slows the corrosion process compared to
in the electrochemical response of the can create a galvanic couple that causes a wider impairment. The existing results
electrodes. delaminationthe debonding of coatings are being used to further investigate
The model includes chemical reaction on the metal sheetswhich significantly coating flaws for their negative
rates, known electrochemical properties weakens the corrosion protection. influence on corrosion protection.
of the metals, and a time-dependent To analyze this additional risk, Hche
function with an exposure period of worked with Nils Bsch, researcher at LAYING THE
24 hours. His results report the electric Daimler AG, to study delamination GROUNDWORK FOR
potential and the current density on a zinc-plated steel test sheet LONGER-LASTING
when the rivet joint is exposed to the electrocoated with a layer of cathodic STRUCTURAL SUPPORT
electrolyte, and reveal the surface paint called an e-coat (see Figure 4). Although corrosion is an omnipresent
coverage (the proportion of the sheets Due to a scratch extending down to process that cannot be avoided entirely, it
and rivet surfaces covered by Mg(OH)2) the steel surface, you can get a galvanic can be minimized through expert design
at different times after immersion couple between the zinc and the steel and careful analysis. Hche and Bsch
begins. The current density varies over and the zinc corrodes, explained reduced the sharp edges in the rivet joint
distance from the center of the rivet, Bsch. This results in a crevice that and honed the geometry to minimize
showing where corrosion will occur grows continuously between the the exposed area while maintaining
most rapidly (see Figure 3). e-coat and the steel in the horizontal mechanical stability. They also
direction, rather than vertically recommended an e-coat for the sheet
DIGGING DEEPER: THE through the layers. This behavior is metal that, based on the parametric
RISKS OF DELAMINATION quite similar to the process of crevice study, would exhibit the lowest electric
In addition to galvanic corrosion occurring corrosion, which digs between two current and therefore the least decay
at the rivet-sheet interface, other surfaces, creating fissures in the metal. in the paneling. Their COMSOL models
automotive components are in danger of Stress fractures at the base of these offered indispensable insight into the
being destroyed by the elements. Minor, cracks can eventually cause part failure, relevant electrochemical behavior,
seemingly superficial imperfections, even though the obvious damage and providing the engineers at HZG and
such as a scratch in the coating or paint overall material loss may appear small. Daimler AG the tools for optimizing their
on a panel, open the door to corrosion Hche and Bsch used parametric rivet joints for the best corrosion defense.
sweeps in COMSOL to study the electric This kind of computer-aided
potential in the electrolyte and the e-coat analysis enhances the developments
for different e-coat barrier properties. in lightweight design and enables
Their model reported the corresponding identification of possible corrosion
horizontal growth of the crevice as it problems early in the design cycle,
consumes the zinc (see Figure 5). Hche concluded. Despite the
Their study to understand how the dangerous enemy that corrosion
size of these surface defects impacts the is to the automotive rivet, control
rate of zinc consumption is ongoing. So of magnesium corrosion through
far, the model indicates that the width knowledge-based processing and
Left: Dr. Daniel Hche, scientist at HZG. of these defects has a greater influence careful geometric design has come
Right: Nils Bsch, researcher at Daimler AG. than the depth: a smaller cathode/anode within our reach. v

16 COMSOL NEWS
LAWRENCE LIVERMORE NATIONAL LABORATORY, CA, USA

SIMULATING
LASER-MATERIAL
INTERACTIONS
Lawrence Livermore National Laboratory
researchers use multiphysics simulation to
develop techniques to repair fused silica optics.
by CHRIS HARDEE

Tunable and precise, lasers are used as much as ten billion times and direct it
extensively in everything from common towards a target about the size of a pencil
household devices to state-of-the-art eraser. The laser produces temperatures,
research facilities. Prominent everyday pressures, and densities that are
uses include automotive parts, barcode similar to those found in the cores of
scanners, DVD players, and fiber-optic stars, supernovae, and large planets.
communications. Lasers are, perhaps, Astrophysics and nuclear researchers use
less well known as precision heat the giant laser to better understand the
sources. However, it is this particular universe, utilizing such technologies as
characteristic that makes them a very inertial confinement fusion (ICF), where
effective tool for material processing hydrogen fuel is heated and compressed
applications, where they are used to to the point where nuclear fusion
manipulate or alter specific substances reactions take place. FIGURE 1. Examples of optics damaged
such as glass, metals, or polymers with However, repeated use of this by repeated exposure to high-peak-power
nanometer-scale accuracy. powerful laser can damage the optics laser pulses. Damaged optic surfaces are
Understanding the interaction within the system. The optics can be shown in (a) and (c) and the corresponding
of lasers with materials is the key quite expensive, says Matthews. The repaired site is shown in (b) and (d). A
to designing and optimizing laser high-power laser light generated by slow annealing process was used to
systems for any application. It is these the NIF can damage some of the fused repair the damaged site in (a), while the
complex laser-material interactions that silica optics, creating little pits in the rapid microshaping technique currently
Manyalibo Matthews, deputy group surfacesimilar to the ding you get when employed at NIF was used to repair the site
leader in the Materials Science Division a rock hits your cars windshield. We do in (c) so that it is optically benign.
of the Lawrence Livermore National everything we can to repair and recycle
Laboratory (LLNL), studies. His research the damaged ones. An example of two repair and more broadly encompasses
pertains to the repair and maintenance damaged optic surfaces before and after laser interactions with fused silica or
of fused silica optics in the most repair is shown in Figure 1. glass1.
expansive laser system in the world. Although the energy deposited by
repeated laser use is damaging to the SIMULATING LASER-
USING LASERS TO REPAIR optics over time, lasers can also aid in GLASS INTERACTIONS
HIGH-POWER SYSTEM their repair. In contrast to the giant laser Matthews and his team have used
OPTICS system in the NIF, which spans three simulation to explore three techniques
California-based LLNL oversees the football fields, the lasers used to repair for repairing damaged optics: infrared
National Ignition Facility (NIF), home to damaged optics are smaller, tabletop (IR) pulsed laser microshaping/
the worlds largest and most energetic systems that are integrated with beam- micromachining, slow annealing,
laser. The giant machinewith 192 and pulse-shaping components to and laser chemical vapor deposition
separate beams and 40,000 optics that produce a damage mitigation system. (L-CVD)2.
focus, reflect, and guide those beams Matthews recent research at LLNL In a first research cycle, they focused
can amplify emitted laser-pulse energy by focuses on novel techniques for optic on the basic underlying physics and

COMSOL NEWS 17
REPAIRING HIGH-POWER SYSTEM OPTICS | LASER-MATTER INTERACTION

material science of how fused silica evaporation point at ~2,200 K. The optic damage (see top panels of
behaves when exposed to laser light at final objective was to investigate the Figure 1), experimentation and
varying temperatures. evaporation and redeposition of the simulation showed that surface rippling
There were several milestones in material over temperatures between caused by thermocapillary flow, or
their temperature-tiered campaign: The 2,200 and 3,400 K. Marangoni shear stress, leads to
first was to understand the thermal- To explore specific techniques for unwanted light modulation when such
elastic response of the material up to repairing the damaged optics, Matthews surfaces are placed into a laser beam.
the glass transition temperature of turned to the COMSOL Multiphysics A simulation showing the laser-induced
1,300 K, where fused silica exhibits a software. I decided to use COMSOL temperature profile and material
sudden increase in elastic response and to get a better understanding of what displacement due to Marangoni shear
becomes less resistant to flow. They was going on, says Matthews. All the stress is shown in Figure 2.
continued by examining the molecular necessary physics were already available To counter this effect, Matthews
relaxation of glass under viscous flow in the software, so I could readily try and colleagues explored the use of
between the glass transition and the out ideas and avoid the time and effort shorter (10s of microseconds compared
that would be needed to develop my with minutes) laser pulses to precisely
own code from scratch. machine away material into a shape
According to Matthews, COMSOL that is less prone to downstream light
has been instrumental in helping them modulation when placed in the laser
understand how lasers interact with system. In Rapid Ablation Mitigation
fused silica, as well as in refining their (RAM), an IR laser is used to heat the
specific repair methods. A high-power substrate just beyond the evaporation
laser system cant tolerate much surface point, which precisely removes a small
roughness in the optics. Controlling amount of material, leaving behind
flatness to such high standards required a smooth, fractureless surface. This
extensive simulation, he says. His nano-ablation of material is repeated
simulations include heat transfer in thousands to millions of times to produce
fluids, chemical reactions, and structural a smooth, conical-shaped pit, which is
FIGURE 2. Simulation results showing mechanics, as well as mass transport optically benign in that it does not
Marangoni flow of laser-heated glass. and fluid flow. produce downstream light modulation
This effect occurs when laser heating (see bottom panel of Figure 1).
leads to gradients in temperature-
IR-PULSED LASER Despite the long history of IR-laser
dependent surface tension, which
causes material to flow radially outward,
MICROSHAPING processing of silica optics, Matthews
While the simple approach of slow says, few attempts have been made
forming what looks like ripples or layers.
annealing was first used to mitigate to understand the energy coupling
and heat flow in order to optimize the
process. We were able to answer many
of these questions by simulating a wide
range of laser parameters and material
properties in COMSOL.
Results from the simulations for
temperature and material behavior
in the ablated regions compared well
with the teams experiments. What we
learned in our research is far-reaching,
Matthews says, and can be applied
beyond the repair of damage in our
high-energy, pulsed-laser systems to
virtually any system that requires laser
polishing, annealing, and microshaping
of silica surfaces1.

LASER CHEMICAL VAPOR

DEPOSITION FOR LARGE
REPAIRS
The third approach the LLNL team
FIGURE 3. Schematic showing the optically coupled gas nozzle used for laser-based studied for repairing damaged optics
CVD processing, which allows gas flow to enter through a lateral port while IR laser was laser-based chemical vapor
light enters axially through a ZnSe window. deposition (L-CVD). In this additive

18 COMSOL NEWS
 REPAIRING HIGH-POWER SYSTEM OPTICS | LASER-MATTER INTERACTION

process, a silica precursor gas is flowed

onto the surface through a nozzle. A
focused CO2 laser beam, coupled into
the nozzle through a window (see
Figure 3), decomposes the precursor and
deposits solid SiO2 glass into the damage
pit. L-CVD is being explored to repair
large defects on optic surfaces with
nanoscale precision that are difficult
to fix using IR microsphaping or other
subtractive approaches. Ultimately,
the optic performance can be entirely
restored.
Using simulation, we experimented FIGURE 4. Simulation of velocity and temperature fields for L-CVD. Left: Velocity
with how beam intensity, position, and contours associated with the L-CVD precursor flow from a 3 mm diameter nozzle and
pulse duration affected the amount of the temperature field induced by laser heating at the air-glass interface.
material deposited onto the optic, explains Right: Velocity streamlines of the vaporized silica where diffusion-dominated
Matthews. Simulation can determine the transport of the glass in the lower left corner can be seen (dark blue).
concentration and flow of the silica as it
decomposes, as well as the location of
deposited material (see Figure 4).
research, however, does not stop at REFERENCES
optics repair. Mathews and his team
The team found that the laser power 1
M. J. Matthews, S. T. Yang, N. Shen, S. Elhadj, R. N.
are also supporting a laboratory-wide Raman, G. Guss, et al., Micro-Shaping, Polishing,
was a critical process parameter for
Additive Manufacturing Initiative by and Damage Repair of Fused Silica Surfaces
avoiding the unwanted features that
further developing an additive process Using Focused Infrared Laser Beams, Advanced
are common in many L-CVD deposition Engineering Materials, vol. 17, p. 247, 2015.
for 3D printing known as selective
profiles, such as the well-known
laser melting (SLM)3. Im really excited 2
M. J. Matthews, S. Elhadj, G. M. Guss, A.
volcano feature. Sridharan, N. D. Nielsen, J.-H. Yoo, et al.,
about this research, says Matthews.
To date, we know of no other Localized planarization of optical damage
Figuring out how to optimize the
approach that additively repairs using laser-based chemical vapor deposition, in
3D printing system could have a huge SPIE Laser Damage, 2013, pp. 888526-888526-9.
damage by replacing lost material with
impact on this rapidly growing industry,
high-grade substrate material, says 3
N. E. Hodge, R. M. Ferencz, and J. M. Solberg,
which could benefit tremendously from Implementation of a thermomechanical model
Matthews. Successful application of
a model-based approach, which was for the simulation of selective laser melting,
such a method could reduce processing
largely trial-and-error in the past. v Computational Mechanics, vol. 54, pp. 33-51
costs, extend optic lifetime, and lead to
more damage-resistant optics for high-
power laser applications in general. In
addition, L-CVD can offer advantages
over conventional methods for other
material systems beyond silica glass. The
ability to simulate the transient flow,
reaction, and heat transport are critical
to exploring new applications.

FROM GLASS REPAIR TO

MANUFACTURE
While the L-CVD process is still
exploratory for optics refurbishment,
the team has implemented CO2 laser-
based surface microshaping at NIF,
optimized using multiphysics simulation,
as part of the facilitys optics mitigation
program. Through 2014, over 130,000
damage sites have been repaired using
IR microshaping and other techniques, Optical damage mitigation and laser materials processing research team at LLNL
and the optics are continuously being (from left to right): Gabe Guss, Nan Shen, Norman Nielsen, Manyalibo Matthews,
recycled back into the NIF, enabling its Rajesh Raman, and Selim Elhadj. The apparatus in the background is used to study
routine use. the dynamics of metal powder melting under high-power laser irradiation, a topic
Their laser-material interaction important to the field of metal-based additive manufacturing (3D printing).

COMSOL NEWS 19
EMIX, FRANCE

Simulations for
Solar
EMIX uses multiphysics simulation to
optimize its cold crucible continuous
casting process for the manufacture of
photovoltaic-quality silicon.
by CHRIS HARDEE
The massive semiconductor industry is built on a firm
foundation of micro-thin wafers of silicon. Those wafers
serve as the basic building block of integrated circuits (IC),
where the innate conducting properties of the elemental
metal create the communication pathways for all modern
computers and electronics.
Yet another technology in which silicon plays a key role
is in the manufacture of photovoltaics (PV). In this growing
alternative energy application, silicon-wafer-based solar cells
are used to convert photons from the sun into earth-bound
electricity. Solar energy is seen by many as a power source
that has great potential. However, solar manufacturers must
find ways to decrease the cost per unit of power generated
before the technology will be truly competitive with more FIGURE 1. The schematic illustrates the cold crucible
mature fossil-fuel technologies. continuous casting (4C) process used to make silicon for
Depending on the price of polysilicon, about 30% of photovoltaic applications. Silicon stock is fed into the systems
the final sale price of a solar cell is a function of the cost hopper at the top, then heated, cooled, and cut into ingots.
of the silicon alone, says Dr. Julien Givernaud, a research
engineer at EMIX, part of the French subsidiary of Grupo In the 4C process, silicon into ingots, which are sold
FerroAtlntica. Givernaud works on the optimization of feedstock is fed into a to PV manufacturers who,
the inductive cold crucible and associated equipment water-cooled crucible where in turn, slice them into the
used to purify silicon for photovoltaics. Lowering silicon it is inductively heated to 200-micrometer-thick sections
production costs while increasing its purity is critically its melting temperature used to make solar cells.
important in this industry. of 1,414 C. It is then
electromagnetically mixed in SIMULATION
MANUFACTURING PV-QUALITY SILICON the crucible where Lorentz IMPROVES
In nature, silicon is the second most abundant element by forces prevent contact PHOTOVOLTAIC
mass in the earths crust. For photovoltaic applications, between the crucible and the PRODUCTION
metallurgical silicon (which is 99.9% pure) must be silicon melt, and the strong EFFICIENCY
processed into a higher-purity grade containing no more stirring homogenizes species While relatively simple
than one part-per-million impurity (99.9999%). Purity concentrations at the solid- in concept, EMIXs 4C
is important because it directly influences the amount liquid interface, enhancing process involves numerous
of electricity a solar cell can produce from incoming crystallization conditions. manufacturing variables. This
sunlighta measure called the photovoltaic conversion This results in high purity is where simulation comes
efficiency. (see Figure 1). in. Givernaud has performed
There are a number of competing manufacturing processes Following mixing, the countless calculations using
that transform silicon from its natural state to solar-cell melt is then pulled down simulation to examine,
ready. Our continuous cold crucible casting, or 4C process, through the open-bottom for example, the cooling
is a very innovative method for manufacturing PV-quality crucible, where it cools and method, the pull rate,
silicon, says Givernaud, who uses the COMSOL Multiphysics solidifies using a carefully crucible and coil shapes,
software to optimize production parameters. The company controlled annealing process. and the characteristics of
holds several patents and an exclusive worldwide operating The continuously produced the furnaces. He has also
license for the technology. silicon rod is next sawed analyzed the effect of the

20 COMSOL NEWS
 INDUCTIVE COLD CRUCIBLE OPTIMIZATION | PHOTOVOLTAIC MATERIALS

electromagnetic field, the shape of the solid-liquid interface,

and the effect of elastic stresses on crystallization behavior. COMSOL Multiphysics is easier to
Engineers at EMIX have been using multiphysics simulation
for eight yearsalmost as long as they have been in the
use than the FEA tool at my previous
PV silicon businessto evaluate the production process. jobAll around, its an intuitive and
COMSOL Multiphysics is easier to use than the FEA tool in my
previous job, says Givernaud. I create all of my geometries powerful tool.
directly in COMSOL. The model is very easy to mesh. Its simple JULIEN GIVERNAUD, RESEARCH ENGINEER AT EMIX
to switch between physics, and the solver is very fast and
efficient. All-around, its an intuitive and powerful tool.
Givernauds most recent modeling studies have involved
both multiscale electromagnetic and 3D continuous casting
simulations. His electromagnetic simulations permitted the
estimation of inductance and impedance, as well as the
optimization of the crucible design to improve electrical
efficiency (see Figure 2). The continuous casting simulations
allowed for the input of parameters such as electromagnetic
power, crystallization rate, height of the crucible cooling
zone, and after-heater temperatures. The combined results
of these studies have led to a compromise between high
production rates and low stresses in the ingots.
In the various simulations, the Heat Transfer in Fluids and
Laminar Flow interfaces in COMSOL were used to calculate phase
change in the silicon as it solidified in the crucible. Calculations
for a cylindrical test crucible, when validated, will be applied to a
larger crucible utilized in the commercial process.
There has been very good agreement between our
simulations and experiments for the pilot process,
says Givernaud. Simulation helped us to reach good
crystallization parameters, improve the electrical efficiency
of the industrial size crucible, and reduce the number of tests
on the pilot furnace. He further adds that the latest series
The R&D team at EMIX stands in front of a silicon production
of simulations have, in theory, demonstrated energy savings
furnace (from left to right): Julien Givernaud, Elodie Pereira,
of approximately 15% and pulling-rate increases of about
Nicolas Pourade, Florine Boulle, Alexandre Petit.
30%, which makes the 4C
method far more productive
than other standard silicon
crystallization processes.
Industry-wide,
manufacturers are striving
to reduce silicon-wafer
cost and improve purity for
PV applications. Increased
share in a growing solar
marketplace will be the
reward for the companies
that develop the most
commercially viable
solutions. Multiphysics
simulation has helped us
to identify some processes
that will be tested soon on
the industrial scale, says
Givernaud, who expects that
EMIX will break new ground
with innovations the company FIGURE 2. The model of the cold crucible has been used to predict the electromagnetic heating
has been working on. v of the crucible (left) and molten silicon (center) and the triple-point liquid/solid/gas interface
(right) where red/yellow represents the melt and blue/green represents the solid phase.

COMSOL NEWS 21
TNO, NETHERLANDS

VIRTUAL MATERIAL DESIGN IN

3D PRINTING MAKES HEADWAY
WITH MULTISCALE MODELING
Researchers at the Netherlands Organization for Applied Scientific Research (TNO)
are using multiphysics simulation, multiscale modeling, and topology optimization to
explore multimaterial 3D printing.
by LEXI CARVER
In recent years, 3D printing (additive energy, and manufacturingthe
manufacturing) has become a techniques used for optimizing material
major player in research, design, and topology in 3D-printed designs
and manufacturing work. Now the have been extended to their other
technology is also showing promise areas of research, such as lightweight
in the realm of material design. It will mechatronics, free-form solar cells, and
soon be commonplace to create prints lighting products.
with multiple materials and varying
properties over a single objecta THE STORY OF STRESS,
capability that will create a wealth STRAIN, AND STIFFNESS IN
of new applications with integrated ANISOTROPIC MATERIALS
products featuring highly tailored Anisotropic materials behave differently
material properties. depending on the direction they are
Additive manufacturing often uses loaded; however, with current methods
small periodic microstructures in a of material production, control over
repeating pattern to create the shape the anisotropy is limited. Hence, any
being built. A single microstructure is advantages are difficult to exploit for
called a unit cell, and these may be as product design purposes.
simple as triangles or honeycombs, or Marco Barink, researcher at TNO,
more complicated, with cross-struts and set out to develop a procedure for
multiple voids between walls. Recent designing manufacturable anisotropic
developments in 3D printing indicate structures using stiffness and topology
that capabilities for multimaterial optimization techniques. He began using
printing at the microlevel, where these the COMSOL Multiphysics software to
microstructures can be combined and investigate a single unit cell intended
tailored to the designers needs, are to have twice the stiffness in one planar
rapidly expanding. This kind of fine direction as the other (see Figure 1).
control will allow engineers to choose We were aiming for a desired stiffness
the proportion and arrangement of matrix, so we applied a strain in COMSOL
each material included, giving them and then optimized it to find the desired
the freedom and flexibility to design stress, he explained. We can tell
performances that are impossible to COMSOL to make the material twice
achieve with a single material. as stiff in one direction as another, and
Researchers at the Netherlands analyze the material behavior for a given
Organization for Applied Scientific geometry. He verified the simulation
Research (TNO) have begun results using a printed sample that he
investigating virtual material design, tested for the expected material behavior.
relying on multiphysics simulation and After determining that his results FIGURE 1. Top: Geometry of a unit
multiscale modeling to determine how were accurate, he performed a second cell. Middle: Simulation results showing
specific properties could be effectively optimization study for a highly anisotropic mechanical stress for an optimized design
designed into a 3D-printed object. Work material. In this case, the simulation could with one planar direction having half the
at the research institute spans many control not only the spatial distribution of stiffness of the other. Bottom: 3D-printed
subjects, including safety and security, the material, but also the orientation of samples.

22 COMSOL NEWS
 MULTIMATERIAL 3D PRINTING | MATERIALS SCIENCE

COMSOL to extract parameters for

the effective structural behavior of a
single multimaterial cell. This effective
behavior is used in a full-scale model,
or macromodel, of a whole device.
We succeeded in creating a fully-
coupled multiscale simulationthe
macromodel contains homogeneous
properties without any substructure
details, and the micromodel contains
the heterogeneous multimaterial
FIGURE 2. Barinks simulation results microstructure. Many micromodels
showing optimized material composition run within a single macromodel, she
(with three materials) for the desired explained. We can consider multiple
anisotropic thermal conductivity. The micromodels at once, solving for highly
simulation shows regions of high nonlinear and temperature-dependent
conductivity (white), low conductivity behavior, based on local conditions from
(orange), and a nonconductive material FIGURE 3. Simulation results in the
the macromodel. COMSOL software showing the light
and voids (red). Several unit cells are Coenen and Barink applied a
arrayed periodically. output of an OLED. Top: Model including
simplified version of this method to the hexagonal grid. Bottom: Macromodel
one of the major research topics at with homogenized material properties.
the anisotropic fibers. TNO, the development of large, flexible
With the larger goal in mind of organic LEDs (OLEDs), which require the
designing properties beyond those deposition of organic semiconductors comparatively large complete OLED
available in a single material, the next onto flexible substrates. For good light (tens of centimeters wide), the different
step was to extend the simulation to homogeneity, these devices require length scales are difficult to account for
structures comprising different material careful design of the metal grids used in in a single model.
combinations, or multimaterials. Barink their transparent front-end electrodes; Multiscale modeling is really the way
defined an anisotropic multimaterial visible differences in light output create to go forward, Barink commented.
cell in COMSOL, then optimized the lighter and darker areas, which are With a new COMSOL study, they
local distribution of each material over a undesirable for a final product. analyzed the grid shape to determine
whole structure composed of a pattern But directly modeling an OLED with the ideal layout for improving light
of these cells (see Figure 2). He used a metal grid proved challenging in the distribution. Combining a macromodel
the software to adjust the composition past, due to large differences in the of the entire OLED with a micromodel
and arrangement until he reached the dimensions of different components. of the honeycomb grid, they solved for
desired overall thermal conductivity. The honeycomb shapes that form the effective light output and optimized the
grid are only a few millimeters wide, spacing and honeycomb dimensions (see
MULTISCALE MODELING and their metal edges 10 100 microns Figure 3). Their updates to the existing
AND COMPUTATIONAL thick. Against the backdrop of the
HOMOGENIZATION
Each of these unit cells, in reality, would
only be a tiny region in a final piece.
After optimization at the microlevel,
the TNO team began to study material
optimization for larger-scale devices.
Weve found that this microscale
strategy works well for relatively
small volumes, said Erica Coenen, a
research engineer at TNO. However,
to design real-life products, these need
to be scaled up while maintaining
feasible computation times. This is
where so-called multiscale modeling
comes in, giving the designer the tools
to efficiently simulate at both the
micromaterial scale and the product
scale simultaneously.
FIGURE 4. Left: Meshed model of a cell optimized for metal 3D printing.
Coenen implemented tools in
Right: Overview of the homogenized material properties for different cell designs.

COMSOL NEWS 23
MULTIMATERIAL 3D PRINTING | MATERIALS SCIENCE

design resulted in a 12% improvement

in homogeneity without compromising
efficiency in the OLED.

BRINGING IT ALL
TOGETHER: FROM SINGLE
CELL TO COMPLETE PART
Coenen and Barink had demonstrated
that topology optimization is a powerful
tool for generating designs for additive
manufacturing, given the capabilities
of developing products that cannot
be manufactured using conventional
techniques. But even such a flexible
manufacturing technology has some
limitations. In one form of 3D printing
called selective laser melting (SLM), the
printer melts layers of powder into the
desired shape. Unused powder must be
removed from the object afterward, and
large overhangs are usually avoided in
SLM designs as they may warp. Therein
lies a potential conflict: What happens
when topology optimization creates an
idealized design containing closed voids
or large overhangs?
To circumvent this issue, our
FIGURE 5. Left: Topology optimization result in the COMSOL software. Center:
The optimized hammer handle, printed in nylon. Right: Close-up of the pattern
engineers came up with a few unit
containing three different cell types: most dense cells with small holes near the top,
cells of different densities, Barink
least dense cells toward the bottom, and a few intermediate shapes in between.
remarked. These cells are designed
to be stiff, always printable, and
versatility of the whole procedure, The team at TNO had begun with
contain holes so that the powder
going from design to final product, a single cell and successfully built
can be removed. Different unit cells
Barink said. From the design of their way to anisotropic multimaterial
combine to create the desired overall
unit cells, homogenization, topology microstructures. The application of
properties. They then used COMSOL
optimization, generating printer input, their techniques to multiple areas of
to analyze the relationship between
and finally, printing, we have developed research at TNO demonstrated the
material density and mechanical
a good technique for designing a power of combining simulation and
stiffness (see Figure 4).
complete device with all the microlevel multiscale modeling with innovative
At the device level, it is not possible
features. When applied to SLM designs, product development. This glimpse into
to handle a model with thousands of
the techniques will address the typical the future, where multimaterial design
small 3D unit cells. So they combined
production issues faced in metal may become the norm in additive
their tested techniques: stiffness
printing, where stronger and more manufacturing, would not have been
homogenization for each unit cell type
high-tech products are designed. possible without simulation. v
followed by topology optimization at a
larger level. The homogenized properties
of each unit cell serve as a separate
material in the topology optimization at
the device level, Barink continued.
For a concrete, less expensive
example than a metal print, they
applied the whole procedure to
a polymer hammer handle (see
Figure 5). The final design contains a
combination of the different cell types,
optimized by the software for the
correct stiffness with minimal material
use. The hammer handle served as
a demonstration of the power and Marco Barink (left) and Erica Coenen (right) standing with the 3D printer at TNO.

24 COMSOL NEWS
NEWTECNIC, UK

OPTIMIZING THE
PERFORMANCE OF COMPLEX
BUILDING FAADES
Using multiphysics simulation to understand the interaction between
environmental, geometrical, and structural variables, engineers at Newtecnic
ensure that innovative building faades are both beautiful and buildable.
by JENNIFER HAND
Federation Square, Melbourne, Australia

cladding affect the integrity of the

insulation, there are numerous
challenges that can be resolved with the
help of simulation.

BEYOND CONCEPTUAL
DESIGN WITH SIMULATION
The COMSOL Multiphysics software
has become a key tool for Newtecnic.
Galante explains: We can do everything
within one simulation software. I use
COMSOL to study the 3D thermal
bridging effectthe way in which
highly conductive materials penetrate
insulationon the overall energy
efficiency of the build-up, evaluate the
FIGURE 1. Heydar Aliyev Cultural Center, Baku, Azerbaijan.
maximum temperature of components,
and suggest the most suitable product
Dynamic, textural, and symbolic; that goes far beyond conceptual or material. I can evaluate cladding
whether they ambitiously defy gravity design alone. Architects provide an pressures on the building structure for
or grow organically from the landscape, artistic view and perhaps some surface schematic design stages and study more
iconic buildings frequently involve modeling of a building design, then complex faades in which mechanical
complex faades. Designed not only to Newtecnic engineers build up the and natural ventilation are present at
protect, they also regulate variables faade in layers, making sure that the the same time. I can also evaluate how
such as thermal and visual comfort. design retains its creativity while also
A specialist in this area, Newtecnic ensuring its structural integrity.
designs and analyzes faade systems Our clients want viable and
for use in high-profile public projects economic design solutions that meet
and regularly works with Zaha Hadid the required performance targets,
Architects, a practice recognized for can withstand environmental effects,
its bold and fluid architectural forms. and are easy to maintain, says
Newtecnics founders and current Carmelo Galante, head of Research
directors, Andrew Watts and Yasmin and Development at Newtecnic. A
Watts, are known for their work on key aspect of our work is therefore to
prominent projects including the describe the physical behavior of the
iconic Federation Square (Melbourne, faade systems we design.
Australia) and more recently, the From solar studies that allow
Heydar Aliyev Cultural Center in Baku, optimization of the shading design
Azerbaijan (see Figure 1). in order to reduce cooling loads and FIGURE 2. Rendering of a single shell
Bespoke is the norm for Newtecnic, maximize visual comfort, to the way shown from two different angles, many
and every project requires thinking in which fixing brackets for rainscreen of which will be part of the building.

COMSOL NEWS 25
THERMAL BRIDGES | BUILDING PHYSICS

Simulation minimizes
construction costs
by allowing contractors
to see exactly what
they are required
to build.
FABIO MICOLI, ASSOCIATE
DIRECTOR AT NEWTECNIC
FIGURE 3. Highlighted view of the rainscreen system with fixing brackets.

concrete shells ranging from 10 to 80 m to evaluate three areas of interest:

in length and reaching heights of up to those influenced by one bracket, those
30 m (see Figure 2). influenced by two or more brackets,
The concrete shells are clad with a and those not influenced at all (these
rainscreen faade system made out of areas are shown in Figure 5).
ceramic panels that are doubly curved Galante was then able to prepare
in order to accurately reproduce the an accurate geometry for the system,
building geometry. Each panel is including all the components of the
supported at its corners by adjustable build-up. It is a real advantage to
fixing brackets made out of stainless be able to combine two tools, says
steel. These brackets are attached to the Galante. Grasshopper allows me
concrete structure through four post- to investigate the geometry on a
drilled anchorages, as shown in Figure 3. very large scalethat of the entire
As the brackets penetrate the insulation buildingthen I move back to COMSOL
layer and have a much higher thermal with this information and create a
FIGURE 4. Simulation results showing conductivity than the concrete structure, very detailed 3D model to capture
isotherms and temperature profile in they create thermal bridges through the the real physics of the system. Using
oC of a section taken through a bracket. faade envelope, significantly reducing this approach, Galante was able to
its thermal performance. conduct a 3D analysis to study the
different design configurations would By conducting a simplified 2D study thermal bridge effect in the bracket
affect the hygrothermal performance of in COMSOL, Galante studied how the and surrounding building (see Figure 6)
a faade system. thermal bridge effect created by the and compute the global heat transfer
Using the CAD import functionality brackets influenced the temperature coefficient (U-value) of the faade.
available in the COMSOL software, distribution in the faade (see Figure 4). Using multiphysics simulation allows
Galante often imports complex The results from the simulation were me to develop a better understanding of
geometries, mainly from Autodesk entered into a Grasshopper script the real situation, explains Galante.
AutoCAD software and Rhinoceros
software. The use of Autodesk Revit
software is continuously increasing
at Newtecnic, and he considers the
new LiveLink for Revit, an add-
on to COMSOL that allows users to
interface their simulations with the
Revit environment, to be a powerful
asset. Galante also combines the use of
COMSOL with parametric design tools
such as the programming language
Grasshopper, which is used to build
and analyze complex geometries by
means of generative algorithms.
One current project at Newtecnic
involves designing the faade system
for a high-profile private building FIGURE 5. Model of one of the shells shown in Figure 2 with areas highlighted that
comprising a series of self-supporting are influenced by one bracket, two brackets, or not influenced by any bracket.

Autodesk, the Autodesk logo, AutoCAD, and Revit are registered trademarks or trademarks of Autodesk, Inc.,
26 COMSOL NEWS and/or its subsidiaries and/or affiliates in the USA and/or other countries.
 THERMAL BRIDGES | BUILDING PHYSICS

FIGURE 6. Left: 3D model of the brackets and surrounding insulation built in Rhinoceros software and imported into the
COMSOL Multiphysics software. Center: COMSOL software model showing the temperature profile in oC in the area influenced
by the bracket. Right: Stainless steel bracket.

I can combine fluid flow with heat notes the value of delivering live for expanding the use of simulation
transfer by conduction, convection, and feedback to clients. at Newtecnic, including using the
radiation, meaning that I can thoroughly Simulation minimizes construction new Application Builder, now part of
evaluate the interplay of different physical costs by allowing contractors to see the COMSOL Multiphysics version
effects and confirm the performance of exactly what they are required to 5.0. As Micoli notes, We could, for
different structures and materials. build, thereby reducing the need example, enhance communication
for contingency budgets or time for with clients by creating an application
RESPONDING TO DESIGN unresolved design issues and allowing that allows an architect to modify
CHANGES the construction team to concentrate different parameters and see exactly
Newtecnics engineers have to respond on meeting project deadlines. how changes would affect their design
to continually changing designs, and without knowing the underlying
need to be able to validate any design CONTINUING multiphysics simulation details.
updates. Simulation allows us to IMPROVEMENT The bottom line is that with
do that, observes Galante. We can The digital tools that we use, such simulation, a better understanding of
demonstrate exactly what effect a design as simulation software, enable us to building performance can be delivered
change will have, whether it relates, for explore new possibilities and improve to Newtecnics clients than ever before,
example, to energy efficiency, structural our design processes, Galante says. He ensuring that an innovative architectural
performance, corrosion, or the lifecycle of and his colleagues can see potential design puts its best face forward. v
a component.
For Newtecnic director Andrew Watts,
it is all about answering questions such
as Is it worth changing this to make
something else work? or If we have
to change it, how much do we have to
change it by? He comments: With
simulation, we can move away from
the traditional building philosophy
of studying individual components
that only perform one function and
can instead think in terms of multi-
functional components, and of the
building as a whole.
Simulation is used to conduct analyses
for every component of a building, and
these results are fully integrated with
drawings so that budget estimates are
both clear and comprehensive. Fabio
Micoli, Associate Director at Newtecnic, Carmelo Galante (left), Andrew Watts (middle), and Fabio Micoli (right) discuss a
recent project at the Newtecnic office in London, UK.

Grasshopper and Rhinoceros are registered trademarks of Robert McNeel & Associates. COMSOL NEWS 27
BREL & KJR, DENMARK

PRECISION PERFORMANCE:
THE PURSUIT OF PERFECT
MEASUREMENT
Researchers at Brel & Kjr are using simulation to achieve new levels of precision and
accuracy for their industrial and measurement-grade microphones and transducers.
by ALEXANDRA FOLEY

FIGURE 1. Left: Photo of a 4134 microphone including the protective grid mounted above the diaphragm. Right: Sectional view
of a typical microphone cartridge showing its main components.

There will never be a perfect challenges are diversefrom traffic

measurement taken or an infallible and airport noise to car engine
instrument created. While we may vibration, wind turbine noise, and
implicitly trust the measurements we production quality control, Brel &
take, no measurement will ever be Kjr must design microphones and
flawless, as our instruments do not accelerometers that meet a variety
define what they measure. Instead, they of different measurement standards.
react to surrounding phenomena and In order to meet these requirements,
interpret this data against an imperfect the companys R&D process includes
representation of an absolute standard. simulation as a way to verify the
Therefore, all instruments have precision and accuracy of their devices
a degree of acceptable erroran and test new and innovative designs.
FIGURE 2. Geometry plot of the 4134
allowable amount that measurements
condenser microphone. The figure shows
can differ without negating their DESIGNING AND the mesh used in the reduced sector
usability. The challenge is to design MANUFACTURING geometry, representing 1/12 of the total
instruments with an error range that is ACCURATE MICROPHONES geometry.
both known and consistent, even over Brel & Kjr develops and produces
extended periods of time. condenser microphones covering
parameter in the development of all of
Brel & Kjr A/S has been a leader frequencies from infrasound to
Brel & Kjrs microphones.
in the field of sound and vibration ultrasound, and levels from below
We use simulation to develop
measurement and analysis for over 40 the hearing threshold to the highest
condenser microphones and to
years. Their customers include Airbus, sound pressure in normal atmospheric
ensure that they meet relevant
Boeing, Ferrari, Bosch, Honeywell, conditions. The range includes working
International Electrical Commission
Caterpillar, Ford, Toyota, Volvo, Rolls- standard and laboratory standard
(ICE) and International Organization for
Royce, Lockheed Martin, and NASA, just microphones, as well as dedicated
Standardization (ISO) standards, says
to name a few. microphones for special applications.
Erling Olsen, development engineer in
Because industry sound and vibration Consistency and reliability is a key
Brel & Kjrs Microphone Research

28 COMSOL NEWS
 PRECISION TRANSDUCERS | ACOUSTIC ENGINEERING

and Development department. Olsen. For simulations such as thermal

Simulation is used as part of our R&D stress and resonance frequency, model
process, together with other tools, all symmetry was used to reduce calculation
so that we know that our microphones time (see Figure 2). The reduced model
will perform reliably under a wide was also used to analyze the sound
range of conditions. For example, we pressure level in the microphone for
know precisely the influence of static sounds that are at a normal incidence
pressure, temperature and humidity, to the microphone diaphragm (see
and the effect of other factors for Figure 3). However, when sound enters
all of our microphonesparameters the microphone with non-normal
that would have been very difficult incidence, the membrane is subjected to
to measure were it not for our use of a nonsymmetrical boundary condition.
simulation. This requires a simulation that considers
The Brel & Kjr Type 4134 the entire geometry in order to
FIGURE 3. Representation of the sound
condenser microphone shown in accurately capture the bending of the
pressure level below the diaphragm
Figure 1 is an old microphone that membrane (see Figure 4).
for normal incidence, calculated using
has been subject to many theoretical Simulation was also used to
the sector geometry. The membrane
and practical investigations over time. determine the influence of the air
deformation is evaluated at f = 20 kHz.
Therefore, the 4134 microphone vent in the microphone for measuring
has been used as a prototype for low-frequency sounds. We modeled
developing multiphysics models of Brel the microphone with the vent either
& Kjr condenser microphones. To exposed to the external sound field,
analyze the microphones performance, outside the field (unexposed), or
Olsens simulations include the without a vent, says Olsen. While the
movement of the diaphragm, the latter would not be done in practice, it
electromechanical interactions of the allowed us to determine the interaction
membrane deformations with electrical between the vent configuration and
signal generation, the resonance the input resistance results for different
frequency, and the viscous and low-frequency behaviors. This is one
thermal acoustic losses occurring in the of the most important things about
microphones internal cavities. simulation: We can make changes to
the parameters of a model that move FIGURE 4. Simulation results showing
the membrane deformation calculated
MICROPHONE MODELING away from already manufactured
devices, allowing us to test other for non-normal incidence at 25 kHz.
When sound enters a microphone,
designs and explore the limits of a Since the deformation is asymmetrical,
sound pressure waves induce
device (see Figure 5).
this is calculated using the full 3D model.
deformations in the diaphragm, which
are measured as electrical signals. These
electrical signals are then converted
into sound decibels. Modeling
a microphone involves solving a
moving mesh and tightly coupled
mechanical, electrical, and acoustic
problemssomething that could not
be done without multiphysics, says
Olsen. The models need to be very
detailed because in most cases, large
aspect ratios (due to the shape of
the microphone cartridges) and small
dimensions cause thermal and viscous
losses to play an important role in the
microphones performance.
The model can also be used to predict
the interactions that occur between the
backplate and diaphragm. Among other
FIGURE 5. In the no-vent configuration, the sensitivity increase is due to the fact
things, this influences the directional
that the sound field becomes purely isothermal inside the microphone at very low
characteristics of the microphone. We frequencies. In the vent outside the sound field configuration, the curve initially
used the simulation to analyze the follows the no-vent curve, but sensitivity increases further as the vent becomes a
bending pattern of the diaphragm, says pressure release on the back of the diaphragm.

COMSOL NEWS 29
PRECISION TRANSDUCERS | ACOUSTIC ENGINEERING

With simulation as part of the R&D We want the transducer to have a flat components measured at the upper
process, Olsen and his colleagues are response and no resonance frequency frequency limit will be in error by no
able not only to design and test some for the desired vibration range being more than 10 to 12%, says Andresen.
of Brel & Kjrs core products, but measured, says Andresen. We used
devices can also be created based on a COMSOL to experiment with different AS ACCURATE AND
specific customers requirements. designs in order to determine the PRECISE AS POSSIBLE
With simulation, we can pin- combination of materials and geometry While it may not be possible to design a
point approaches for making specific that produces a flat profile (no resonance) perfect transducer or take an infallible
improvements based on a customers for a certain design. This is the region in measurement, simulation brings
needs. Although microphone acoustics which the transducer will be used. research and design teams closer than
are very hard to measure through When designing the transducer, a ever before by allowing them to quickly
testing alone, after validating our low-pass filter, or mechanical filter, and efficiently test new design solutions
simulations against a physical model can be used to cut away the undesired for many different operating scenarios.
for a certain configuration, we are able signal caused by the transducer In order to stay ahead of the
to use the simulation to analyze other resonance, if any. These filters consist competition, we need knowledge
configurations and environments on a of a medium, typically rubber, bonded that is unique, says Andresen.
case-by-case basis. between two mounting discs, which is Simulation provides us with this, as
then fixed between the transducer and we can make adjustments and take
VIBRATION TRANSDUCER the mounting surface. virtual measurements that we couldnt
MODELING As a rule of thumb, we set the otherwise determine experimentally,
Sren Andresen, a development upper frequency limit to one-third of allowing us to test out and optimize
engineer with Brel & Kjr, also uses the transducers resonance frequency, innovative new designs. v
simulation to design and test vibration so that we know that vibration
transducer designs.
One of the complications with
designing transducers for vibration
analysis is the harsh environments
that these devices need to be able to
withstand, says Andresen. Our goal
was to design a device that has so much
built-in resistance that it can withstand
extremely harsh environments.
Most mechanical systems tend to have
their resonance frequencies confined
to within a relatively narrow range,
typically between 10 and 1000 Hz.
One of the most important aspects of
transducer design is that the device does
not resonate at the same frequency as
the vibrations to be measured, as this
would interfere with the measured
results. Figure 6 shows the mechanical
displacement of a suspended vibration
transducer, as well as a plot of the
resonance frequency for the device.

With simulation,
we can pin-point
approaches for making
specific improvements
based on a customers FIGURE 6. Simulation results of a suspended piezoelectric vibration transducer. Top:
needs. Mechanical deformation and electrical field in the piezoelectric sensing element and
seismic masses. Bottom: Frequency-response plot showing the first resonance of the
ERLING OLSEN, DEVELOPMENT transducer at around 90 kHz. This device should only be used to measure objects at
ENGINEER AT BREL & KJR
frequencies well below 90 kHz.

30 COMSOL NEWS
NATIONAL RENEWABLE ENERGY LABORATORY, CO, USA

MAKING BIOFUEL A COST-

EFFECTIVE, RENEWABLE
SOURCE OF ENERGY
Researchers at the National Renewable Energy Laboratory are using
multiphysics simulation to better understand and optimize the conversion
process for plant-derived biofuels.
by JENNIFER SEGUI

Biofuels could potentially replace fossil fuels for many The production process itself poses an important economic
applications, offering an alternative source of energy to heat barrier to the widespread use of biofuels. Research at the
buildings, generate electricity, and keep the transportation National Renewable Energy Laboratory (NREL), supported by
industry moving. the Computational Pyrolysis Consortium, is directed toward
There are many benefits to producing biofuels from gaining a better understanding of the physical processes
plant-based materials, generally referred to as biomass. Such behind biofuel conversion by developing computational
fuels are renewable, clean-burning, and carbon-neutral, models that feature the most accurate representation of
producing no more carbon dioxide than is sequestered by biomass particle geometry to date. Such a model could then
its original plant source. However, biofuel availability is still be used to improve reactor design and operation as required
fairly limited for its most common usein vehicles. As of for the mass production of biofuel.
2014, the U.S. Energy Information Administration reports This work can ultimately make biofuel use more cost-
that only 2% of retail fueling stations were offering the effective and competitive with traditional nonrenewable
ethanol-based fuel E85. fuels, some of which will be depleted in mere decades.

FIGURE 1. In preparation for pyrolysis, the woody biomass shown at left has been milled and may also undergo additional
chemical treatment. Several physical processes including heat transfer, mass transfer, chemical reactions, and phase change must
be taken into account to develop a complete model of pyrolysis, shown at right. The flask in the photo collects the condensed
bio-oil vapors resulting from pyrolysis in a pre-commercial reactor. Photo credits: Warren Gretz, NREL 05756 (left) and Phil
Shepherd, NREL 03677 (right).

COMSOL NEWS 31
COMPUTATIONAL PYROLYSIS | BIOFUELS

Since COMSOL
has geometry tools,
physics, meshing,
and solvers already
implemented, we
can spend more time
making the biomass
model geometry really
FIGURE 2. Left: A scanning electron micrograph confirms the shape and structure of accurate.
a hardwood biomass particle. Right: A confocal scanning laser micrograph of a particle PETER CIESIELSKI, RESEARCH
cross section shows the microstructure. SCIENTIST AT NREL

PRODUCING FUEL FROM PLANTS minimizes char formation and accelerates favorable reactions
Thermochemical processes such as pyrolysis, which is shown by facilitating the penetration of conversion catalysts and
in Figure 1, use exposure to high temperatures to break the escape of desired products. Ciesielskis work considers the
down and convert biomass particles to liquid biofuels that effect of size, shape, and internal microstructure of biomass
can support many everyday life activities. Improving fast particles, which is determined by the species of wood and by
pyrolysis, a pre-commercial thermochemical conversion the milling process used prior to pyrolysis.
route often used for woody biomass, is one objective of the
research program at NREL, and is described in more detail in AN ACCURATE MODEL OF BIOMASS
the sidebar below. Computational studies designed to understand and
Peter Ciesielski, a research scientist at NREL, and his optimize the biofuel conversion process have always used
colleagues are using multiphysics simulation to gain insight simplified biomass particle geometry that ignored internal
into the fundamental processes behind biomass conversion via microstructure.
pyrolysis, starting with investigating heat and mass transfer. Ciesielskis research aims to provide insight into the heat
Efficient heat and mass transfer through biomass particles and mass transfer in biomass by developing a model in

COMPUTATIONAL PYROLYSIS CONSORTIUM

Ciesielskis work, supported by the Computational Pyrolysis

Consortium and funded by the U.S. Department of Energy, is
a collaborative effort between researchers at NREL, Oakridge
National Laboratory (ORNL), and the National Institute of
Standards and Technology (NIST). The collaboration brings
together experts in computational modeling, biomass conversion,
reactor design, and materials characterization to optimize biofuel
production via pyrolysis.
To appreciate the significance of pyrolysisfirst think about
a fire, but take away the flame. Pyrolysis is a thermochemical
conversion route that causes decomposition of biomass via
exposure to high temperatures and in the absence of oxygen.
Without oxygen, there is no combustion or flame. The result of
pyrolysis is char, a liquid product often referred to as bio-oil, and
gaseous products of the chemical reaction. Biofuels are produced
from further refinement of the bio-oil.
Fast pyrolysis research at NREL takes the process one step further Peter Ciesielski, a research scientist at NREL, is
by using an extremely high rate of heat transfer to break down pictured next to the scanning electron microscope
biomass, where internal temperatures reach upwards of 500C used to acquire images of wood biomass for his
within 1 second. work published in Energy & Fuels1.

32 COMSOL NEWS
 COMPUTATIONAL PYROLYSIS | BIOFUELS

the COMSOL Multiphysics software that takes internal transfer. For a given particle size, shape, and microstructure,
microstructure into account. Since COMSOL has the it is possible to determine the amount of time required for
geometry tools, physics, meshing, and solvers already the entire particle, particularly the center, to reach optimal
implemented, we can spend more time making the biomass temperatures for decomposition.
model geometry really accurate, explains Ciesielski. In a separate simulation, the diffusion of sulfuric acid, a
In order to generate 3D models of biomass for use in chemical used to pretreat biomass prior to its conversion
COMSOL simulations, a confluence of imaging methods to biofuel, was evaluated. The Transport of Diluted Species
was used to characterize the external morphology and size interface was used for transient simulations of mass transport
distribution as well as the internal microstructure of each in the microstructure and solid particle geometries where the
type of biomass. Examples of images that were acquired for surrounding fluid in this case was water.
this study are shown in Figure 2. The results from both the heat and mass transfer studies
A solid geometry was generated using the external indicate that a solid model, particularly a spherical one, may
and internal dimensions of biomass particles, determined not offer sufficient accuracy to evaluate and optimize biofuel
from the images, as input to a series of Boolean geometry conversion processes and that the use of a microstructured
operations in COMSOL. The complete geometry consists of model is justified.
two domains, as shown in Figure 3.
INPUT FOR LARGE-SCALE REACTOR
SIMULATING PYROLYSIS: HEAT AND DESIGN
MASS TRANSFER While the present study focuses on heat and mass transfer in
Biomass decomposition via fast pyrolysis starts with the biomass, rapid phase transitions and chemical reactions are
application of high temperatures (about 500oC) to an critical to fully understand and optimize biofuel production
oxygen-free reaction vessel for a few seconds. Applying via fast pyrolysis. Ciesielskis ongoing work involves adding
these conditions, the Conjugate Heat Transfer interface these to his simulations, the ability to do so being an
in COMSOL was used to simulate heat transfer between important reason why COMSOL was chosen.
the outer fluid domain shown in Figure 3a, consisting of Ultimately, however, the team has bigger plans for
nitrogen gas, and the biomass particle. Heat transfer in the the computational model. By performing simulations
fluid domain is predominately by convection, whereas at the to gain a fundamental understanding of transport in
interface and through the biomass particle, heat transfer is biomass, effective correlations for low-order models can be
by conduction only. determined for a range of process parameters and biomass
The simulations were run on a high-performance feedstocks. These correlations can be used to optimize
computing (HPC) cluster using one or two compute nodes the design and operation of large-scale reactors for mass
each consisting of 24 Intel Xeon Ivy Bridge processors production of biofuel, making the process more efficient
with 64 GB of RAM. The results in Figure 3b show the and cost-effective. v
temperature distribution in a hardwood biomass particle
0.5 seconds into a transient simulation of conjugate heat REFERENCES
1
P. N. Ciesielski, et. al., Energy Fuels, 2015, 29(1), pp 242-254.

FIGURE 3. Left: COMSOL software model geometry featuring a fluid domain surrounding a hardwood biomass particle. Right:
The temperature distribution from a transient simulation of conjugate heat transfer is shown.

Intel and Xeon are trademarks of Intel Corporation in the U.S. and/or other countries COMSOL NEWS 33
FRAUNHOFER ISE, GERMANY

BETTER WAYS TO HEAT

AND COOL BUILDINGS
Multiphysics simulation helps researchers at the Fraunhofer
Institute for Solar Energy Systems develop innovative
adsorption-based chillers, heat pumps, and thermal storage
units driven by solar, natural gas, and waste heat.
by GARY DAGASTINE
FIGURE 1. Example of
a commercially available
The heating and cooling thermal compressors by periodically heating and cooling an adsorption-based chiller.
of buildings accounts for adsorbent material at different temperatures and pressures.
nearly 50 percent of energy These systems can replace electrically driven mechanical
65 Fraunhofer research
consumption in Europe, compressors in heat pumps and chillers with the extra benefit
institutes in Germany that
spurring researchers to find of offering heat storage capacity, which can store up to three
specialize in different aspects
alternatives to conventional times the energy stored using traditional hot water systems.
of applied science.
technologies.
Eric Laurenz and Hannes
One enticing possibility OPTIMIZING THERMAL TRANSFER AND
Fugmann, researchers at
is to use adsorption-based STORAGE Fraunhofer ISE, are part of a
heating and cooling systems The development of adsorption-based heating systems and
20-person group led by Lena
driven not by electricity, chillers is complex. They have discontinuous operating cycles,
Schnabel that is developing
but by heat. Because heat varying peak energy fluxes, and their dynamic behavior is
higher-efficiency heat
could come from solar determined by complex and coupled heat and mass transfer
exchangers for adsorption
collectors, from waste heat phenomena.
systems. Laurenz studies how
generated by industrial Although some adsorption-based systems are already
water vapor and heat flows
facilities, or from combined commercially available (see Figure 1), to realize their full
through porous structures
heat and power units, this potential on a larger scale the technology must become far more
with the goal of optimizing
adsorption technology efficient, more compact, and cheaper to produce.
system size and efficiency,
offers the possibility of One of the worlds leading research organizations in this
while Fugmann conducts
significantly reducing field is the Fraunhofer Institute for Solar Energy Systems (ISE)
design studies involving non-
electricity consumption and in Freiburg, Germany. With a staff of some 1,300 employees,
isothermal fluid flows and
associated CO2 emissions. it investigates all aspects of solar energy transformation,
heat conduction in solids in
The technology can be used storage, and use. It is part of a network of more than
order to develop better heat
not only as a highly efficient
heating system that uses
gas-fired heat pumps to
multiply the heat delivered
to a building, but also for the
compact storing of energy for
a long period of time.
In brief, heating and
cooling systems based on
this principle use a working
fluid in an adsorption/
desorption cycle where the
fluids state is altered from
liquid to gas and vice versa
numerous times (see the
sidebar on page 37 for more FIGURE 2. Left: Experimental setup used to validate COMSOL software models of adsorption
details). With this technique, kinetics, consisting of a thin 50x50 mm2 layer of zeolite sorbent on an aluminum carrier, placed
special heat exchangers on a cold plate in a dosing chamber and monitored with temperature and heat flux sensors.
can be built that act as Right: Graph showing excellent agreement between simulated and measured water vapor
pressure in a zeolite sorbent test setup at Fraunhofer ISE.

34 COMSOL NEWS
 ADSORPTION-BASED HEAT EXCHANGERS | SUSTAINABLE ENERGY

exchanger architectures.
Analytical methods are inadequate for our work because
of the strong nonlinear couplings between the heat and USING ADSORPTION FOR HEATING
mass transfer involved, Laurenz said. We need to use AND COOLING SYSTEMS
numerical tools such as COMSOL Multiphysics to simulate
A schematic of the two-step cycle used to design
the cyclic loading and unloading of the sorbent and take
adsorption-based chillers and heat pumps is shown
into account the temperature and mass distribution in both
in the figure below. To explain, lets look at what
space and time. With these tools, we can make sure that the
takes place during the heat pump mode. The cycle
simulation will correctly capture the dynamics of adsorption
is composed of one adsorption and one desorption
and desorption.
step. During the adsorption step, the working fluid is
As a general approach, the team uses a combination of
evaporated at a low temperature. At the same time, the
simulation and well-defined, small-scale experiments to build
working fluid is adsorbed by an adsorbent at a medium
large-scale models that can accurately predict the complex
temperature, where the heat released can be used to
real-world behavior of the physics being investigated. With
heat a building.
the small-scale models, the team can fully model the physical
Once the sorbent is saturated, the process is inverted
mechanisms in detail, while on the larger scales, complexity
and the desorption step starts. The sorbent is heated
can be reduced to save on computational time. This approach
to a high temperature, thereby desorbing the working
can significantly reduce the need to build full-size physical
fluid. Next, the working fluid is condensed at a medium
prototypes, saving both time and money.
temperature, and the released heat of condensation can
be used to heat a building.
VALIDATING THE ADSORPTION PROCESS
In summary, for heating applications (heat pumps)
One of the key objectives for improving adsorption heat
the building is heated while energy is removed from the
exchangers is to optimize the uptake speed and capacity of
environment. Conversely, in cooling applications (chillers),
the thin sorbent layers used in the system. In one investigation,
the building is cooled down while heat is released to the
simulation was used by Lena Schnabel and Gerrit Fldner
environment. When the cycle is interrupted, the potential
to build a model that captured the heat and mass transfer
heat of adsorption can be stored loss free. Depending on
interplay dynamics happening in the sorbent layer. With the
the desired application, adsorption can be used to heat
help of the model, the group was able to fully understand the
or chill a building, while the environment acts as either a
measurements obtained from the experimental setup shown at
heat source or sink.
left in Figure 2.
Only by comparing experimental and simulation results
using parameter estimation were we able to determine the
transport coefficients that could not be measured directly,
describes Laurenz. This data was then used in our more
complex simulations of the system.
Schnabels group first started using COMSOL Multiphysics
nearly ten years ago. More recently, however, the group has
started to use models with varying levels of detail to estimate
transport parameters and to simulate the cyclic behavior of
complete systems under dynamically changing operating
conditions. The ability to easily simulate coupled physics in
complex and dynamic systems has proven indispensable for
much of their research at Fraunhofer ISE.

ENHANCED HEAT EXCHANGER DESIGNS

In his work to optimize heat exchanger architectures,
Fugmann performs basic research on heat exchanger designs,
including chillers and heat pumps. Some of his geometries
are designed to increase heat transfer surface area using wire
structures such as those shown in Figure 3, as opposed to
the more traditional fin-and-tube heat exchanger designs. In
these novel architectures, a wire structure is woven or knitted
around a series of tubes, separating the two fluids in the heat
exchanger. In an experimental setup for a gas-to-liquid wire
heat exchanger, hot water flows within the tubes while cold
air flows between the tubes and across the wires.
We found that if we use wire structures, we can achieve
a higher heat transfer coefficient with a larger surface, as

COMSOL NEWS 35
ADSORPTION-BASED HEAT EXCHANGERS | SUSTAINABLE ENERGY

FIGURE 3. Left: Device geometry showing warm water entering the tubes. Cold air is passed across the tubes, cooling the water
as it flows through the tubes. Middle: Simulated geometry showing the cold air entry and warm air exit. The wire structure and
the tubes are shown in purple. Right: Device geometry used in experimental testing.

well as significantly reduce

material usage, said
Fugmann. We are able to
do this without noticeably
increasing the pressure drop,
and the flexibility of the wire
structures also gives us the
ability to easily adapt the
geometry depending on the
operating parameters of FIGURE 4. Left: Simulations showing velocity streamlines and the temperature distribution in
the design. air, in the tube wall, and in the wire connecting the two tubes (red: warm; blue: cold). Right:
Using COMSOL software, Simulations showing the velocity magnitude in air (red: high; blue: low).
Fugmann performed
parametric sweeps to
investigate specific pressure numerically at Fraunhofer
drops, heat transfer ISE for use as sorptive-
coefficients, material usage, coated structures and as
and other analyses of the surface enlargement for
designs geometry. Figure heat exchangers in thermal
4 shows the temperature storages.
distribution and the velocity
magnitude of an optimized LOOKING AHEAD
geometry of the wire Our immediate goal is
structure and the tubes. to increase knowledge and
Fugmann describes competence in these areas
the device: From the so that we can help both
measurements, we our customers and others
found that the bonded at Fraunhofer ISE who are
connections between wires developing different aspects The Fraunhofer ISE team includes (from left) Hannes Fugmann,
and tubes yield a high and of adsorptive climate control Gerrit Fldner, Lena Schnabel, and Eric Laurenz. They are
dominating heat resistance. systems, said Laurenz. standing in front of an experimental setup for the dynamic
By understanding the Longer-term, we look characterization of adsorption heat exchangers. The setup
limitations of heat transfer forward to the day when is used to generate experimental data for simulation-based
in the wire structures, we can such technologies are in parameter estimation.
further optimize the design. widespread use in society,
Due to their higher heat helping to reduce the
exchange surface per volume,
REFERENCES
load on the electrical grid 1
Fldner, G. & Schnabel, L., 2008. Non-Isothermal Kinetics of Water Adsorption
the wire structures are also and conserve the earths in Compact Adsorbent Layers on a Metal Support. In Proceedings of the
analyzed experimentally and resources. v COMSOL Conference 2008 Hannover. COMSOL Conference. Hannover.

36 COMSOL NEWS
 COMSOL BLOG

COMSOL BLOG
SHARES THE
LATEST IN
MULTIPHYSICS
SIMULATION
The engineering community turns to the
COMSOL Blog for answers to multiphysics
simulation questions and fun reads.
by FANNY LITTMARCK
Engineers around the world are leaning on the COMSOL Blog
as a go-to resource for multiphysics simulation. Readers learn
about when, why, and how to best use COMSOL Multiphysics
software directly from the experts. All blog posts are
written and published in-house by application engineers and
other COMSOL staff, with the occasional guest blogger. The
variety of authors ensures a wide range of content, from FIGURE 1. Screenshot of the COMSOL Blog.
highly technical details to lighter informative reads.

FROM SUPPORT ANSWERS TO RELEASE

NEWS AND EVERYTHING IN BETWEEN
The blog content mix spans over 40 topic categories,
organized by physics for the most part to enable easy
browsing of relevant content. Users of COMSOL Multiphysics
refer to the COMSOL Blog for answers to common support
questions, modeling tips, release news, COMSOL Conference
updates, and more. In addition to information specific to the
COMSOL simulation software, the Trending Topics category
contains popular science blog posts for all to enjoy.
FIGURE 2. Left: Ray path in a concert hall from the blog post
While the majority of blog posts are published as stand-
Modeling Room Acoustics with COMSOL Multiphysics.
alone pieces, some topics are more detailed and stretch over
Right: Touchscreen watch from the blog post Analyzing
several blog entries in a series. The most popular series is one
Capacitive Touchscreens in Consumer Electronics.
on solvers, where Applications Engineer Walter Frei explains
what happens under the hood when the COMSOL software
is solving models. Other fan favorites include series on
postprocessing tips, high-performance computing (HPC), the
weak form, and more. A tag cloud organizes all of the series
in the bottom of the right-hand sidebar on the blog and is
updated as new series are launched.

EXPLORE THE COMSOL BLOG

With fresh content published Monday through Friday each
week and covering a variety of topics, the COMSOL Blog has
something for everyone. Visit the blog now for the latest in
multiphysics simulation by navigating to it directly at
www.comsol.com/blogs or from any page on the COMSOL
website via the Community section in the footer. v FIGURE 3. Tag cloud featuring COMSOL Blog series.

COMSOL NEWS 37
GUEST EDITORIAL COMSOL
NEWS
Simulation Apps Bring Us
Closer to Mars
by JIM KNOX, MARSHALL SPACE FLIGHT CENTER, NASA
My work with mathematical modeling and computer Exploration Systems
simulations began in earnest in 1987 when I signed on with program, is keeping abreast
the National Aeronautics and Space Administration, better of parallel developments in
known as NASA. At the time, I was developing computer CO2 capture and storage.
simulations to support the design of carbon dioxide (CO2) While listening to a speaker
removal systems for the International Space Station (ISS) life at a recent conference, I was
support system. CO2 is a human metabolic waste, produced struck by his conclusion: For
at a rate of a kilogram per day per crewmember. CO2 must this complex technology,
be removed from the crew cabin, as it will quickly become standard figures of merit
detrimental to crew health. The systems used to remove cannot be used to optimize
CO2 are typically based on sorption processes, which include the processes involved.
complex interactions of heat transfer, mass transfer, and Rather, computer simulations
gas flow through porous media. At this time, there were no that capture the key physics
commercial options for solving a set of coupled mathematical of the process, including
models such as partial differential equations (PDEs); you coupled heat and mass Jim Knox is the functional area
manager for maturation of CO2
either force-fit the physics into a thermal analysis package transfer in porous media,
Removal systems within NASAs
or wrote your own code, complete with discretization, must be applied. A large
Advanced Exploration Systems
meshing, and solution algorithms. Unfortunately, coding CO2 number of parametric program. He received a BS in
removal processes from scratch did not allow an appropriate simulations are required to aerospace engineering from the
focus on the challenging yet crucial task of understanding converge on the optimal University of Colorado and an MS
and capturing the underlying physics via appropriate solution. Parametric testing in mechanical engineering from the
could also be employed, University of Alabama. Research

The Application Builder will provide

of course, but would be using the COMSOL Multiphysics
prohibitively expensive and software to simulate adsorption
processes is part of his ongoing
the means to distribute the workload time consuming, severely
limiting the number of PhD dissertation.
to many individuals. options that can be explored.
Multiphysics applications have made great strides in solver
mathematical models. Configuration control was often simply robustness and speed. However, to accelerate 1D system
ignored due to tight schedules, resulting in a code that would simulations and enable multidimensional modeling of full
be quicker for a second party to rewrite than modify. CO2 removal systems, further improvements in robustness,
In the early 2000s, I decided to move CO2 removal simulations to execution rate, and memory usage are highly desirable
a platform with built-in meshing, solvers, and postprocessing future developments.
capabilities, and that could solve user-defined multiphysics One feature that can be applied now to increase the
PDEs. The program chosen to meet these needs was the execution rate of parametric studies is the Application
COMSOL Multiphysics software. Along with freeing the Builder in COMSOL Multiphysics. After verification of a CO2
engineer to focus on the underlying physics, a degree of removal simulation against test results, the configuration
configuration control was automatically achieved via a can be locked down and a simulation app distributed to
consistent user interface, thus allowing COMSOL software multiple users for parallel parametric studies. Examples of
users to share computer models. My team has developed parametric variables include sorbent selections, fixed bed
simulations that are already providing a valuable debugging size, cycle times, and flow rates. The recent development of
capability for the ISS CO2 removal system, and will provide the Application Builder is very timely, as it will seamlessly
guidance in upgrades to that system. facilitate this process.
As NASA looks to the next phase of human space travel, first In summary, early investigation of COMSOL as a platform
to the vicinity of Mars, and then eventually to the Mars surface, for parametric studies towards maturation of spacecraft CO2
the need for robust and efficient systems takes a quantum removal systems appears very promising. The Application
leap. Unlike on ISS, resupply is unavailable, and early return is Builder will provide the means to distribute the workload to
impossible. Design of CO2 removal systems thus requires a new many individuals. With this approach, informed selections
degree of optimization, including selection of adsorbents and from a wide range of possible options can be made towards
sorbent processes. finding the best solution for a CO2 removal system for the
One facet of my current position, guiding the maturation crew traveling to, and landing on, the Red Planet. v
of spacecraft CO2 removal technologies for NASAs Advanced