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- W2012804037 abstract "Mixed clusters of Lennard-Jones atoms have been studied using molecular dynamic simulations. For sufficiently high impurity-host interaction energy, the structure is significantly distorted from those found for pure clusters, and the three-dimensional solid-liquid-like transition identified in pure system simulations is absent. Instead, at very low temperatures, structures may be characterized as having two-dimensional solid-like solvation shells formed by the host atoms surrounding the impurity. When these solvation shells are incomplete, well-defined two-dimensional solid-liquid transitions corresponding to the appearance of disorder in the solvation shells (two-dimensional melting) are observed as the temperature is increased. Studies of A13B13-type clusters are also reported. For the parameters studied, a clear segregation of species within the cluster is observed." @default.
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- W2012804037 date "1989-06-01" @default.
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- W2012804037 title "Structural and dynamical properties of van der Waals clusters with impurities" @default.
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- W2012804037 doi "https://doi.org/10.1016/0009-2614(89)87383-x" @default.
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