1.

Record Nr.

UNINA9910777873303321

Autore

Bulatov Vasily V

Titolo

Computer simulations of dislocations [[electronic resource] /] / Vasily V. Bulatov, Wei Cai

Pubbl/distr/stampa

Oxford ; ; New York, : Oxford University Press, 2006

ISBN

0-19-191661-7

1-280-96503-7

0-19-151366-0

1-4294-5992-1

Descrizione fisica

1 online resource (301 p.)

Collana

Oxford series on materials modelling ; ; 3

Altri autori (Persone)

CaiWei <1977->

Disciplina

548/.842

Soggetti

Dislocations in crystals - Computer simulation

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Previously issued in print: 2006.

Nota di bibliografia

Includes bibliographical references (p. [275]-280) and index.

Nota di contenuto

Contents; 1 Introduction to Crystal Dislocations; 1.1 Perfect Crystal Structures; 1.2 The Concept of Crystal Dislocations; 1.3 Motion of a Crystal Dislocation; I: 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; II: CONTINUUM MODELS; 8 Peierls-Nabarro Model of Dislocations; 9 Kinetic Monte Carlo Method; 10 Line Dislocation Dynamics; 11 Phase Field Method; Bibliography; Subject Index; A; B; C; D; E; F; G; H; I; K

LM; O; P; R; S; T; V; W; Y; Z

Sommario/riassunto

Presenting a variety of methods for computer simulations of crystal defects in the form of 'numerical recipes', complete with computer codes and analysis tools, this text provides a useful starter kit for further method development in the computational materials sciences.