Molecular dynamics and defects in metals in relation to interatomic force laws
- 1 July 1988
- journal article
- research article
- Published by Taylor & Francis in Philosophical Magazine A
- Vol. 58 (1) , 179-192
- https://doi.org/10.1080/01418618808205182
Abstract
Molecular-dynamics computer simulations have been used intensively over the last two decades in conjunction with interatomic forces to study defects and disorder in condensed matter. In this paper, I discuss different types of molecular-dynamics technique developed recently and examine the usefulness of interatomic potentials for calculating defect properties in metals from the point of view of computer simulation. I illustrate the applications of this technique by some important results obtained in defect properties and in diffusion.Keywords
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