Size-temperature phase diagram for small Lennard-Jones clusters.
نویسندگان
چکیده
The size-temperature "phase diagram" for small Lennard-Jones clusters LJn (n< or =147) is constructed based on the analysis of the heat capacities Cv(T) , computed by the parallel tempering Monte Carlo method. Two types of "phase transitions" are often observed: the higher-temperature solid-liquid transition, due to melting of the cluster core, and the lower-temperature melting that occurs within the surface layer. The latter transition can only be observed for clusters with Mackay packing of the overlayer.
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عنوان ژورنال:
- Physical review. E, Statistical, nonlinear, and soft matter physics
دوره 72 3 Pt 2 شماره
صفحات -
تاریخ انتشار 2005