Empirical many-body potential energy functions used in computer simulations of condensed matter properties


Erkoc S.

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, vol.278, no.2, pp.80-105, 1997 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Review
  • Volume: 278 Issue: 2
  • Publication Date: 1997
  • Doi Number: 10.1016/s0370-1573(96)00031-2
  • Journal Name: PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.80-105
  • Keywords: potential energy functions, empirical potentials, many-body interactions, interatomic interactions, MOLECULAR-DYNAMICS SIMULATION, SILICON STRUCTURAL ENERGIES, INTERATOMIC FORCE-FIELDS, ATOMIC SOLIDS, GAAS(110) SURFACE, LATTICE-DYNAMICS, SI(111) SURFACE, BULK PHASES, CLUSTERS, MICROCLUSTERS

Abstract

Empirical many-body potential energy functions (EMBPEFs) are extensively used in atomistic computer simulations, especially in molecular dynamics and Monte-Carlo methods. There are several EMBPEFs used in the literature for different purposes, some of these functions are suitable for bulk and surface properties, and some of them are suitable for cluster properties. In this article the EMBPEFs used in the computer simulation applications for condensed matter properties will be reviewed.