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Atomic Computer Simulation: Large Scale Calculations of Defect Properties by Empirical Potentials

✍ Scribed by A. Serra

Publisher: John Wiley and Sons
Year: 2001
Tongue: English
Weight: 390 KB
Volume: 227
Category: Article
ISSN: 0370-1972
DOI: 10.1002/1521-3951(200109)227:1<151::aid-pssb151>3.0.co;2-2

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✦ Synopsis

This paper is aimed at introducing computer simulation of extended defects in crystalline materials by means of empirical potentials. In this context we understand by large scale calculations those related to a number of atoms from 10 3 to 10 6 and/or a time scale of few nanoseconds (10 2 -10 4 ps) for the evolution of the processes studied.