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Title: Molecular dynamical simulations of melting behaviors of metal clusters

The melting behaviors of metal clusters are studied in a wide range by molecular dynamics simulations. The calculated results show that there are fluctuations in the heat capacity curves of some metal clusters due to the strong structural competition; For the 13-, 55- and 147-atom clusters, variations of the melting points with atomic number are almost the same; It is found that for different metal clusters the dynamical stabilities of the octahedral structures can be inferred in general by a criterion proposed earlier by F. Baletto et al. [J. Chem. Phys. 116 3856 (2002)] for the statically stable structures.
Authors:
; ;  [1]
  1. School of Physics Science and Technology, Xinjiang University, 830046 Urumqi (China)
Publication Date:
OSTI Identifier:
22488538
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 5; Journal Issue: 4; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; MELTING; MELTING POINTS; METALS; MOLECULAR DYNAMICS METHOD; SIMULATION; SPECIFIC HEAT