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Modelling gold clusters with an empirical many-body potential

  • N.T. Wilson
  • R.L. Johnston

Abstract:

Molecular Dynamics Simulated Annealing has been used to probe the structure of small Au clusters consisting of between 2 and 40 atoms. The interatomic interactions within these clusters are described using an empirical Murrell-Mottram many-body potential energy function. Four distinct structural motifs are present in the structures of the predicted global minima, based on octahedra, decahedra, icosahedra and hexagonal prisms.

PACS. 61.46.+w Clusters, nanoparticles, and nanocrystalline materials - 36.40.-c Atomic and molecular clusters 

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Copyright information

© EDP Sciences, Springer-Verlag, Società Italiana di Fisica 2000

Authors and Affiliations

  • N.T. Wilson
    • 1
  • R.L. Johnston
    • 1
  1. 1.School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, UKUS

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