BULK AND SURFACE-PROPERTIES OF ALUMINUM - A MOLECULAR-DYNAMICS SIMULATION

Authors
ELBAYYARI Z ERKOC S
Citation
Z. Elbayyari et S. Erkoc, BULK AND SURFACE-PROPERTIES OF ALUMINUM - A MOLECULAR-DYNAMICS SIMULATION, Materials chemistry and physics, 37(4), 1994, pp. 382-388
Citations number
36
Categorie Soggetti
Material Science
Journal title
Materials chemistry and physics → ACNP
ISSN journal
02540584
Volume
37
Issue
4
Year of publication
1994
Pages
382 - 388
Database
ISI
SICI code
0254-0584(1994)37:4<382:BASOA->2.0.ZU;2-M
Abstract
We have investigated the bulk and surface properties of aluminum using the molecular-dynamics technique. In the simulation a recently develo ped empirical many-body potential energy function, which contains two- and three-body atomic interactions, has been used. The bulk propertie s of specific heat capacity and vacancy formation energy have been cal culated, and the surface properties of surface energy, surface vacanci es, and adatoms on the (001) surface, have been investigated at low te mperature.