Computer simulations of dislocations

Bulatov, Vasily V.

Computer simulations of dislocations Vasily Bulatov, Wei Cai. - New York: Oxford University Press, 2006. - xvi, 284 p. : ill. ; 25 cm. - Oxford series on materials modelling ; 3 . - Oxford series on materials modelling .

First published in paperback 2013.

Includes bibliographical references and index.

1 Introduction to Crystal Dislocations; 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


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. - ; 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 rel

9780198526148 (hbk. : alk. paper) 0198526148 (hbk. : alk. paper) 9780199674060 (pbk.)


Dislocations in crystals
Dislocations in crystals--Mathematical models.--Computer simulation.

548.842 / BUL