Entropic effects on the structure of Lennard-Jones clusters
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چکیده
منابع مشابه
Entropic effects on the structure of Lennard-Jones clusters
We examine in detail the causes of the structural transitions that occur for those small LennardJones clusters that have a non-icosahedral global minima. Based on the principles learned from these examples we develop a method to construct structural phase diagrams that show in a coarse-grained manner how the equilibrium structure of large clusters depends on both size and temperature. The metho...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2002
ISSN: 0021-9606
DOI: 10.1063/1.1469616