Interdisziplinäres Zentrum für Materialwissenschaften
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Interdisziplinäres Zentrum für Materialwissenschaften
Nanotechnikum Weinberg
Heinrich-Damerow-Str. 4,
D-06120 Halle, Germany
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H. Lei
Melting of free copper clusters
J. Phys.: Condens. Matter 13,13 (2001), 3023-3030

Extensive molecular-dynamics simulations of melting processes of copper clusters, Cu55, Cu147 and Cu309 with closed-shell icosahedral structure, were performed using an environment-dependent classical tight-binding potential. The results reveal that the cluster may transit completely from pure solid to pure liquid phase with temperature via a dynamics-coexistence (DC) process, depending upon the latent heat and vibrational entropy. In the DC regime, no other than the first-order solid-liquid phase transition with time is related to the specific structure of the cluster.
© Journal of Physics: Condensed Matter

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