Molecular-dynamics simulations of nickel clusters


Creative Commons License

Erkoc S., Gunes B., Gunes P.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.11, no.5, pp.1013-1024, 2000 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 11 Issue: 5
  • Publication Date: 2000
  • Doi Number: 10.1142/s0129183100000845
  • Journal Name: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.1013-1024

Abstract

Structural stability and energetics of nickel clusters, Nih (N = 3 - 459), have been inves tigated by molecular-dynamics simulations, A size-dependent empirical model potential energy function has been used in the simulations. Stable structures of the microclusters with sizes N = 3 - 55 and clusters generated from fee crystal structure with sizes N = 79 - 459 have been determined by molecular-dynamics simulations. It has been found that the fivefold symmetry appears on the surface of the spherical clusters. The average coordination number shows a size-dependent characteristic, on the other hand the average nearest-neighbor distance does not show a size-dependence.