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Author(s): Dr. Dierk Raabe
Published Online: 24 MAR 2004
About this BookProduct Information
About The Product
Modeling and simulation play an ever increasing role in the development and optimization of materials.
Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various microstructural levels and how they can be coupled.
This book addresses graduate students and professionals in materials science and engineering as well as materials-oriented physicists and mechanical engineers.


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I Introduction and Fundamentals 3
   1 Introduction         5
   2 Modeling and Simulation in Materials Science 13
   3 Fundamentals and Solution of Differential Equations
II Simulation Techniques at the Nano¨CMicro Scale 47
   4 Fundamentals 49
   5 Statistical Mechanics in Atomic-Scale Simulations 53
   6 Monte Carlo Simulation and Integration 61
   7 Molecular Dynamics 87
III Simulation Techniques at the Micro¨CMeso Scale 111
   8 Introduction 113
   9 Discrete Dislocation Statics and Dynamics 119
   10 Ginzburg¨CLandau-Type Phase Field Kinetic Models 177
   11 Cellular Automata 201
   12 Mesoscale Kinetic Monte Carlo and Potts Models 225
   13 Geometrical and Component Models 233
   14 Topological Network and Vertex Models 239   
   IV Simulation Techniques at the Meso¨CMacro Scale 247
   15 Introduction 249
   16 Finite Element and Difference Methods at the Meso¨CMacroscale 251
   17 Polycrystal Elasticity and Plasticity Models 267
V Integrated Modeling and Simulation 301
   18 Fundamentals 303
   19 Space and Time Scales in Microstructure Simulation 305
VI Appendices 309
[ Last edited by °Ë½ÇÕ¯ on 2012-11-8 at 11:04 ]
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