Molecular dynamics simulation study on the superheating of coated argon clusters

  • Zhu X
  • You X
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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.

Author-supplied keywords

  • Argon cluster
  • Melting
  • Molecular dynamics simulation
  • Superheating

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Authors

  • Xiao Lei Zhu

  • Xiao Zeng You

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