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, cilt.170, sa.1, ss.103-111, 1992 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 170 Konu: 1
  • Basım Tarihi: 1992
  • Doi Numarası: 10.1002/pssb.2221700112
  • Dergi Adı: PHYSICA STATUS SOLIDI B-BASIC RESEARCH
  • Sayfa Sayıları: ss.103-111

Özet

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.