Interatomic potential fitted for lead

Citation
Dy. Sun et al., Interatomic potential fitted for lead, PHIL MAG A, 79(8), 1999, pp. 1953-1961
Citations number
42
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS ANDMECHANICAL PROPERTIES
ISSN journal
13642804 → ACNP
Volume
79
Issue
8
Year of publication
1999
Pages
1953 - 1961
Database
ISI
SICI code
1364-2804(199908)79:8<1953:IPFFL>2.0.ZU;2-K
Abstract
By using the recently improved generalized-simulated-annealing algorithm an d the molecular dynamics method, we numerically fit an interatomic potentia l for lead. The potential obtained can correctly reproduce many physical pr operties of lead in crystalline and non-crystalline phases. The surface ene rgy and surface relaxation obtained are in good agreement with the experime ntal results. The melting point predicted by this potential is very close t o the experimental data. The present potential is used to study the surface melting and liquid structure; good agreement with experimental results is observed.