Molecular dynamics simulation for the formation of magic-number clusters with a Lennard-Jones potential

The formation of clusters from a gas state of particles interacting with a Lennard-Jones potential was simulated by a large-scale molecular dynamics calculation with a new temperature-control scheme. Decreasing the translational temperature of atoms and clusters followed by a long-term evaporation p...

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Veröffentlicht in:Physical Review Letters 1996-03, Vol.76 (11), p.1792-1795
Hauptverfasser: Ikeshoji, T, Hafskjold, B, Hashi, Y, Kawazoe, Y
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Sprache:eng
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Zusammenfassung:The formation of clusters from a gas state of particles interacting with a Lennard-Jones potential was simulated by a large-scale molecular dynamics calculation with a new temperature-control scheme. Decreasing the translational temperature of atoms and clusters followed by a long-term evaporation produced several peaks in a cluster-size distribution. The peak positions obtained correspond to sizes 13, 19, 23, and 26, which are the magic-numbers expected from polyicosahedra. {copyright} {ital 1996 The American Physical Society.}
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.76.1792