MOLECULAR-DYNAMICS COMPUTER-SIMULATION OF ALUMINUM CLUSTERS (ALN N = 3 TO 55) - EMPIRICAL MANY-BODY POTENTIAL-ENERGY FUNCTION CALCULATION


ELBAYYARI Z., ERKOC S.

PHYSICA STATUS SOLIDI B-BASIC RESEARCH, vol.170, no.1, pp.103-111, 1992 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 170 Issue: 1
  • Publication Date: 1992
  • Doi Number: 10.1002/pssb.2221700112
  • Journal Name: PHYSICA STATUS SOLIDI B-BASIC RESEARCH
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.103-111

Abstract

The structural stability and energetics of Al(n)(n = 3 to 55) clusters are investigated by using a recently developed empirical many-body potential energy function which contains two- and three-body atomic interactions. Molecular-dynamics technique is employed in the simulation. It is found that the energetically most stable structures of aluminum clusters are in compact distorted buckled form.