Computer Simulations of Dislocations

• Practical guide to the methods of materials simulations.
• Provides detailed explanation of computational methods in the form of "numerical recipies".
• Supplemented with numerous case studies and problem sets.
• The book's website at http://micro.stanford.edu contains all the codes, data files and analysis tools necessary to work out the problems.
• Written to be self-contained, providing a sufficiently detailed exposition to the computational methods without the need for extensive referencing of other books or journal articles.

Readership: Graduate students and researchers in Physics, Materials Sciences, Computational Science, and Mechanical Engineering.

Vasily Bulatov, Senior Scientist, Lawrence Livermore National Laboratory, and Wei Cai, Assistant Professor, Department of Mechanical Engineering, Stanford University

"This book presents a collection of models and computational methods applied to crystal dislocations, to help researchers in materials science gain a practical knowledge of simulation. Materials World, November 2007."

"An outstanding book." - Robert Rudd, Lawrence Livermore National Laboratory

"Reads very well, with a very informal but highly informative style. " - Adrian P. Sutton, Imperial College London

1: Introduction to crystal dislocations
Atomistic Models
2: Fundamentals of atomistic simulations
3: Case study of static simulation
4: Case study of dynamic simulation
5: More about periodic boundary conditions
6: Free energy calculations
7: Finding transition pathways
Part 2
Continuum Models
8: Peierls-Nabarro model of dislocations
9: Kinetic Monte Carlo method
10: Line Dislocation Dynamics
11: The Phase Field method