Structural transitions in the 309-atom magic number Lennard-Jones cluster.

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...

Полное описание

Библиографические подробности
Главные авторы:	Noya, E, Doye, J
Формат:	Journal article
Язык:	English
Опубликовано:	American Institute of Physics 2006

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