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Computational Mechanics of Discontinua 1st Edition
Antonio A. Munjiza Digital Instant Download
Author(s): Antonio A. Munjiza, Earl E. Knight, Esteban Rougier
ISBN(s): 9780470970805, 0470970804
Edition: 1
File Details: PDF, 10.15 MB
Year: 2011
Language: english
COMPUTATIONAL
MECHANICS OF
DISCONTINUA
WILEY SERIES IN COMPUTATIONAL MECHANICS

Series Advisors:

René de Borst
Perumal Nithiarasu
Tayfun E. Tezduyar
Genki Yagawa
Tarek Zohdi

Introduction to Finite Element Analysis: Szabó and Babuška March 2011

Formulation, Verification and Validation
COMPUTATIONAL
MECHANICS OF
DISCONTINUA
Antonio A. Munjiza
Queen Mary, University of London, UK

Earl E. Knight
Los Alamos National Laboratory, USA

Esteban Rougier
Los Alamos National Laboratory, USA

A John Wiley & Sons, Ltd., Publication

This edition first published 2012
© 2012 John Wiley & Sons, Ltd
Registered office
John Wiley & Sons Ltd, The Atrium, Southern Gate, Chichester, West Sussex, PO19 8SQ, United Kingdom
For details of our global editorial offices, for customer services and for information about how to apply for permission to
reuse the copyright material in this book please see our website at www.wiley.com.
The right of the author to be identified as the author of this work has been asserted in accordance with the Copyright,
Designs and Patents Act 1988.
All rights reserved. No part of this publication may be reproduced, stored in a retrieval system, or transmitted, in any
form or by any means, electronic, mechanical, photocopying, recording or otherwise, except as permitted by the UK
Copyright, Designs and Patents Act 1988, without the prior permission of the publisher.
Wiley also publishes its books in a variety of electronic formats. Some content that appears in print may not be available
in electronic books.
Designations used by companies to distinguish their products are often claimed as trademarks. All brand names and
product names used in this book are trade names, service marks, trademarks or registered trademarks of their respective
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The Los Alamos National Laboratory strongly supports academic freedom and a researcher’s right to publish; therefore,
the Laboratory as an institution does not endorse the viewpoint of a publication or guarantee its technical correctness.
Library of Congress Cataloguing-in-Publication Data

Munjiza, Antonio A.
Computational mechanics of discontinua / Antonio A. Munjiza,
Earl E. Knight and Esteban Rougier.
p. cm. – (Wiley series in computational mechanics)
Includes bibliographical references and index.
ISBN 978-0-470-97080-5 (hardback)
1. Continuum mechanics. I. Knight, Earl E. II. Rougier, Esteban. III. Title.
QA808.2.M87 2011
531– dc23
2011020576

A catalogue record for this book is available from the British Library.
Print ISBN: 978-0-470-97080-5
ePDF ISBN: 978-1-119-97118-4
obook ISBN: 978-1-119-97116-0
ePub ISBN: 978-1-119-97301-0
Mobi ISBN: 978-1-119-97302-7
Typeset in 10/12pt Times by Laserwords Private Limited, Chennai, India
To Cheryl, Jasna, Sole, Ignacio, Matias and Boney.
Contents

Series Preface xi

Preface xiii

Acknowledgements xv

1 Introduction to Mechanics of Discontinua 1

1.1 The Concept of Discontinua 1
1.2 The Paradigm Shift 3
1.3 Some Problems of Mechanics of Discontinua 7
1.3.1 Packing 7
1.3.2 Fracture and Fragmentation 8
1.3.3 Demolition and Structures in Distress, Progressive Collapse 11
1.3.4 Nanotechnology 12
1.3.5 Block Caving 15
1.3.6 Mineral Processing 16
1.3.7 Discrete Populations in General 16
References 18
Further Reading 18

2 Methods of Mechanics of Discontinua 21

2.1 Introduction 21
2.2 Discrete Element Methods 21
2.2.1 Spherical Particles 22
2.2.2 Blocky Particles 23
2.2.3 Oblique and Super-Quadric Particles 23
2.2.4 Rigid Potential Field Particles 25
2.2.5 3D Real Shape Particles 25
2.2.6 Computer Games and Special Effects 26
2.3 The Combined Finite-Discrete Element Method 27
2.4 Molecular Dynamics 28
2.4.1 Common Potentials 29
2.5 Smooth Particle Hydrodynamics 31
viii Contents

2.6 Discrete Populations Approach 33

2.7 Algorithms and Solutions 35
References 36
Further Reading 37

3 Disc to Edge Contact Interaction in 2D 39

3.1 Problem Description 39
3.2 Integration of Normal Contact Force 39
3.3 Tangential Force 44
3.4 Equivalent Nodal Forces 45
Further Reading 46

4 Triangle to Edge Contact Interaction in 2D 47

4.1 Problem Description 47
4.2 Integration of Normal Contact Force 47
4.3 Tangential Force 54
4.4 Equivalent Nodal Forces 55
Further Reading 56

5 Ball to Surface Contact Interaction in 3D 59

5.1 Problem Description 59
5.2 Integration of Normal Contact Force 59
5.3 Tangential Force 73
5.4 Equivalent Nodal Forces 74
Further Reading 75

6 Tetrahedron to Points Contact Interaction in 3D 77

6.1 Problem Description 77
6.2 Integration of Normal Contact Force 79
6.3 Tangential Force 84
6.4 Equivalent Nodal Forces 86
Further Reading 86

7 Tetrahedron to Triangle Contact Interaction in 3D 89

7.1 Problem Description 89
7.2 Integration of Normal Contact Force 89
7.3 Tangential Force 99
7.4 Equivalent Nodal Forces 101
Further Reading 102

8 Rock Joints 103

8.1 Introduction 103
8.2 Interaction between Mesh Entities in 2D 104
8.2.1 Interaction between a 2D Disk and a Straight Edge 105
8.2.2 Numerical Integration of the Roller-Edge Interaction 111
Contents ix

8.3 Joint Dilation 113

8.4 Shear Resistance of a 2D Rock Joint 116
8.5 Numerical Examples 120
References 124
Further Reading 124

9 MR Contact Detection Algorithm for Bodies of Similar Size 125

9.1 The Challenge 125
9.2 Constraints of MR Contact Detection Algorithm 125
9.3 Space Decomposition 127
9.4 Mapping of Spherical Bounding Boxes onto Cells 127
9.5 Spatial Sorting 129
9.6 Quick Sort Algorithm 130
9.7 MR-Linear Sort Algorithm 135
9.8 Implementation of the MR-Linear Sort Algorithm 136
9.9 Quick Search Algorithm 141
9.10 MR-Linear Search Algorithm 143
9.11 CPU and RAM Performance 145
9.12 CPU Performance and RAM Consumption 151
References 152
Further Reading 152

10 MR Contact Detection Algorithm for Bodies of Different Sizes 155

10.1 Introduction 155
10.2 Description of the Multi-Step-MR Algorithm (MMR) 155
10.3 Polydispersity 156
10.4 CPU Performance 157
10.5 RAM Requirements 158
10.6 Robustness 158
10.7 Applications 160
Further Reading 160

11 MR Contact Detection Algorithm for Complex Shapes in 2D 163

11.1 Introduction 163
11.2 Contactor Circle to Target Point MR Contact Detection Algorithm 163
11.2.1 Cell Size and Space Boundaries 163
11.2.2 Rendering of 2D Target Points onto Cells 166
11.2.3 Sorting of Target Cells 167
11.2.4 Interrogation Tools for Sorted Target Cells 167
11.2.5 Rendering of 2D Contactor Circles onto Cells 168
11.3 Contactor Circle to Target Edge MR Contact Detection Algorithm 176
11.3.1 Rendering 2D Target Edges onto Cells 176
11.3.2 Searching for Contacts 182
11.4 Contactor Triangle to Target Edge MR Contact Detection Algorithm 184
11.4.1 Rendering 2D Triangles onto Cells 185
x Contents

11.5 Extension to Other Shapes 192

11.6 Reporting of Contacting Couples 193
Further Reading 194

12 MR Contact Detection Algorithm for Complex Shapes in 3D 197

12.1 Introduction 197
12.2 Rendering Target Simplex Shapes 198
12.2.1 Rendering 3D Points onto Cells 198
12.2.2 Rendering 3D Edges onto Cells 198
12.3 Sorting Target Cells 210
12.4 Target Cells Interrogation Tools 211
12.5 Searching for Contacts 212
12.5.1 Rendering Contactor Tetrahedron 212
12.5.2 Rendering Contactor Triangular Facet 226
12.5.3 Rendering Other Contactor Simplex Shapes 241
Further Reading 241

13 Parallelization 243
13.1 Introduction 243
13.2 Domain Decomposition Approach 247
13.2.1 Communication Engine 252
13.2.2 Broadcasting Engine 254
13.2.3 Summing Engine 254
13.2.4 Gathering Engine 256
13.2.5 Distribution of Physical Objects across Processors 257
13.2.6 Creating Proxies 258
13.2.7 Relocating Originals 259
13.3 Graphics Processing Units (GPU) 260
13.4 Structured Parallelization 262
Further Reading 263

Index 265
Series Preface

The series on Computational Mechanics is a conveniently identifiable set of books cover-

ing interrelated subjects that have been receiving much attention in recent years and need
to have a place in senior undergraduate and graduate school curricula, and in engineering
practice. The subjects will cover applications and methods categories. They will range
from biomechanics to fluid-structure interactions to multiscale mechanics and from com-
putational geometry to meshfree techniques to parallel and iterative computing methods.
Application areas will be across the board in a wide range of industries, including civil,
mechanical, aerospace, automotive, environmental and biomedical engineering. Practicing
engineers, researchers and software developers at universities, industry and government
laboratories, and graduate students will find this book series to be an indispensible source
for new engineering approaches, interdisciplinary research, and a comprehensive learning
experience in computational mechanics.
Discrete element methods are used in a wide variety of applications – ranging from
fragmentation and mineral processing in engineering to the simulation of the dynamics
of galaxies in astrophysics. This book – written by leading experts in the field – provides
a comprehensive overview of discrete element methods with an emphasis on algorithmic
and implementation aspects. A unique feature is the in-depth treatment of accurate and
fast methods for contact detection between particles, which is of pivotal importance for the
efficiency of discrete element methods. Starting from basic concepts in discontinua, the
book further touches upon molecular dynamics simulations, smooth particle hydrodynam-
ics and the combination of discrete element with finite element methods, and discusses
parallel implementations of discrete element methods.
Preface

One of the more important breakthroughs of the modern scientific age was the develop-
ment of differential calculus. The key to differential calculus is the concept of a point
which contains an instantaneous quantity such as point density or instantaneous velocity.
Implicitly hidden is the assumption of smoothness of physical quantities, which translates
into the assumption of a continuum. Based on this assumption, a whole range of scien-
tific and engineering disciplines were developed, such as Fluid, Solid, and Continuum
Mechanics. Common to all these is the existence of a set of governing partial differential
equations describing the physical problem as a continuum. With exponential advances in
computer hardware, fiber optics and related technologies, it has now become possible to
solve these governing equations using powerful computers and the associated numerical
methods of computational physics.
Modern science of the early decade of the 21st century is increasingly addressing prob-
lems where the assumptions of smoothness and continuum are no longer true. The best
example is Nano-Science and Nanotechnology where length scales are so small that the
continuum assumption is simply not valid. Other examples include complex systems such
as biological systems, financial systems, crowds, hierarchical materials, mineral process-
ing, powders, and so on. In these systems it is the presence of the interaction of a large
number of individual atoms, molecules, particles, organisms, market players, individual
people in the crowd or other individual building blocks of a complex system that produce
new emergent properties and emergent phenomena such as a droplet of liquid, market
crash, crowd stampede, and so on. A common feature of all of these is the departure from
the continuum assumption towards an explicit adoption of the discontinuum. The new
scientific discipline that has therefore emerged is called Mechanics of Discontinua.
While Continuum Mechanics smears out all the complex processes occurring at a
certain length and time scale, Mechanics of Discontinua emphasizes these processes. Solv-
ing equations of Continuum Mechanics produces numerical simulations which quantify
“a priori” described physical quantities. In contrast, solving equations of Mechanics of
Discontinua produces a virtual experiment that generates new qualities and properties,
thus surprising the observer; for instance, from individual atoms a droplet of liquid or a
crystal may appear; from individual market players a market crash may happen; from the
behaviour of individual people a stampede may occur.
Mechanics of Discontinua is a fundamental paradigm shift from the science that mea-
sures “a priori” defined properties to the science that produces these as emergent properties
and emergent phenomena.
xiv Preface

This book aims to provide a comprehensive introduction to the subject including a

detailed description of state of the art computational techniques. As such it is a must
read for both experimental and theoretical researchers or practitioners involved in fast
developing areas such as nano-science, nanotechnology, medical sciences, pharmaceu-
ticals, material sciences, mineral processing, complex biological and financial systems.
The book comes with open source 3D discontinua computer software and also with
open source MR nano-science computational tools, which are available on the companion
website: www.wiley.com/go/munjiza.
Acknowledgements

The authors would like to express their gratitude to the publishers, John Wiley & Sons,
Ltd, for their excellent support. We would also like to thank our numerous colleagues
and research collaborators from all over the world: the USA, China, Japan, Germany,
Italy, Canada, and the UK. Our thanks also go to current and previous PhD students
as well as Postdoctoral researchers. Special thanks go to Professor J.R. Williams from
MIT, Professor Bibhu Mohanty from University of Toronto, Professor Graham Mustoe
from Colorado School of Mines, our colleagues at Los Alamos National Laboratory
(Robert P. Swift, Theodore C. Carney, Christopher R. Bradley, Wendee M. Brunish, David
W. Steedman, Doran R. Greening and others), Professor F. Aliabadi from Imperial College
London, Dr. Ing Harald Kruggel-Emden from Ruhr-University, Bochum, Germany, and
Dr. Paul Cleary, CSIRO, Australia. Many thanks must also go to Dr. Nigel John for all
the help he has provided.
1
Introduction to Mechanics
of Discontinua

1.1 The Concept of Discontinua

It was Galileo who noticed that the velocity of a free falling body increases by a constant
amount in a given fixed increment of time. The more general case of this is the variable
change of velocity, as shown in Figure 1.1.
This velocity change can be written as
ν
a= (1.1)
t
where a is the acceleration. From his observations one can say that Galileo nearly discov-
ered differential calculus. The discovery of differential calculus would have naturally led
him to the laws of motion and the story of classical mechanics would have come much
earlier in history.
In reality it was Newton who extrapolated the concept of
ν
a = lim (1.2)
tt→0

to the case that when t is nearly zero, instantaneous acceleration is achieved, as shown
in Figure 1.2.
Leibnitz took the concept even further and generalized it, thus developing what is
now called “differential calculus”. One could argue that differential calculus is the most
important discovery of modern science. It has enabled scientists and engineers to describe
physical problems in terms of governing equations. The governing equations are usually
a set of partial differential equations that describe a particular engineering or scientific
problem. Examples of these include equilibrium equations of the linear theory of elasticity
and also the Navier-Stokes equations describing the flow of Newtonian fluids.
All of these are based on the concept of instantaneous, point or distributed quantity
such as
dr
v= (1.3)
dt

Computational Mechanics of Discontinua, First Edition. Antonio A. Munjiza, Earl E. Knight and Esteban Rougier.
© 2012 John Wiley & Sons, Ltd. Published 2012 by John Wiley & Sons, Ltd.
2 Computational Mechanics of Discontinua

Δv

Δv

Δt Δt t

Figure 1.1 Nonlinear change of velocity as a function of time.

Δv

Δt → 0 t

Figure 1.2 Graphical representation of instantaneous acceleration.

which is the instantaneous velocity or

dm
ρ= (1.4)
dV
which is the point density. Without differential calculus one would have to use the average
density given by
m
ρ̄ = (1.5)
V
where V is some finite volume and m is the mass of that volume.
This concept can be expanded to any distributed quantity such as load
f
p = lim (1.6)
x→0 x

where p is the value of the distributed load at a specific point, as shown in Figure 1.3.
Of course, in these extrapolations a hidden assumption is made: Qualitatively nothing
changes as x or V gets smaller and smaller. This is the standard continuum assump-
tion and it is both true and not true. It is true if one is solving a problem where one
is really interested in results in terms of average quantities, that is, the physics of the
problem are contained at relatively large finite time, length, volume or similar scales.
One of the first surprises engineers encountered regarding solutions of governing
equations on the theory of elasticity involved failures of structural components at stress
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