Structural transitions in the 309-atom magic number Lennard-Jones cluster.
The thermal behavior of the 309-atom Lennard-Jones cluster, whose structure is a complete Mackay icosahedron, has been studied by parallel tempering Monte Carlo simulations. Surprisingly for a magic number cluster, the heat capacity shows a very pronounced peak before melting, which is attributed to...
| Hauptverfasser: | , |
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| Format: | Journal article |
| Sprache: | English |
| Veröffentlicht: |
American Institute of Physics
2006
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