Entropic effects on the structure of Lennard-Jones clusters

We examine in detail the causes of the structural transitions that occur for those small Lennard-Jones 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 mann...

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Bibliográfalaš dieđut
Váldodahkkit: Doye, J, Calvo, F
Materiálatiipa: Journal article
Giella:English
Almmustuhtton: American Institute of Physics 2001