Computer Simulations of Dislocations
Series: Oxford Series on Materials Modelling; 3;
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Product details:
- Publisher OUP Oxford
- Date of Publication 2 November 2006
- ISBN 9780198526148
- Binding Hardback
- No. of pages300 pages
- Size 245x170x20 mm
- Weight 676 g
- Language English
- Illustrations 88 line drawings, 4 halftones 0
Categories
Short description:
The book presents a variety of methods for computer simulations of crystal defects in the form of "numerical recipes", complete with computer codes and analysis tools. By working through numerous case studies and problems, this book provides a useful starter kit for further method development in the computational materials sciences.
MoreLong description:
This book presents a broad collection of models and computational methods - from atomistic to continuum - applied to crystal dislocations. Its purpose is to help students and researchers in computational materials sciences to acquire practical knowledge of relevant simulation methods. Because their behavior spans multiple length and time scales, crystal dislocations present a common ground for an in-depth discussion of a variety of computational approaches, including their relative strengths, weaknesses and inter-connections. The details of the covered methods are presented in the form of "numerical recipes" and illustrated by case studies. A suite of simulation codes and data files is made available on the book's website to help the reader "to learn-by-doing" through solving the exercise problems offered in the book.
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.
Table of Contents:
Introduction to crystal dislocations
Atomistic Models
Fundamentals of atomistic simulations
Case study of static simulation
Case study of dynamic simulation
More about periodic boundary conditions
Free energy calculations
Finding transition pathways
Part 2
Continuum Models
Peierls-Nabarro model of dislocations
Kinetic Monte Carlo method
Line Dislocation Dynamics
The Phase Field method