Structure and dynamics of model Ag and Pt clusters

  • Julia Uppenbrink
  • D. J. Wales
Article

DOI: 10.1007/BF01429162

Cite this article as:
Uppenbrink, J. & Wales, D.J. Z Phys D - Atoms, Molecules and Clusters (1993) 26: 258. doi:10.1007/BF01429162

Abstract

The structure and dynamics of model silver and platinum clusters were investigated by performing molecular dynamics calculations with regular quenching along the trajectory. An eigenvector-following routine was used to determine stationary points linking minimum configurations. Clusters of 13 and 14 atoms were studied, using Sutton-Chen potentials suitable for silver and platinum to describe the interatomic interaction. The close relationship between features of the potential energy surface and the dynamic behaviour of the clusters, for example the occurrence of coexistence, is shown. For silver and platinum, very different structural as well as dynamic properties are observed.

Copyright information

© Springer-Verlag 1993

Authors and Affiliations

  • Julia Uppenbrink
    • 1
  • D. J. Wales
    • 1
  1. 1.Department of ChemistryUniversity of CambridgeCambridgeU. K.