Molecular dynamics simulation study on the superheating of coated argon clusters

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Abstract

Spherical argon clusters coated with layers of higher melting point atoms were studied by molecular dynamics (MD) simulations. Interatomic interactions were constructed from the pair wise additive Lennard-Jones atom-atom potential energy functions. A superheating of 25 K above the melting point of an uncoated Ar cluster (Ar369) was observed for the coated cluster, which consist of 369 Ar atoms coated with 566 atoms of a material with a depth well lower than ∼50% that of argon. The simulation indicates that the superheating of a coated cluster is due to the lack of a free surface, or the more ordered core structure resulted from hydrostatic pressure of the high-melting coatings before the cluster reaches its melting temperature. © 2001 Elsevier Science B.V. All rights reserved.

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Zhu, X. L., & You, X. Z. (2001). Molecular dynamics simulation study on the superheating of coated argon clusters. Journal of Molecular Structure, 597(1–3), 203–209. https://doi.org/10.1016/S0022-2860(01)00602-0

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