Modelling gold clusters with an empirical many-body potential |
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| Authors: | NT Wilson RL Johnston |
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| Institution: | (1) School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK, US |
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| 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.
Received 30 September 1999 and Received in final form 23 March 2000 |
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| Keywords: | PACS 61 46 +w Clusters nanoparticles and nanocrystalline materials - 36 40 -c Atomic and molecular clusters |
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