Journal of Northeastern University ›› 2009, Vol. 30 ›› Issue (6): 909-912.DOI: -

• OriginalPaper • Previous Articles    

Molecular dynamics study on structural change of a Cu59 cluster during heating

Zhang, Lin (1); Sun, Hai-Xia (1)   

  1. (1) School of Sciences, Northeastern University, Shenyang 110004, China
  • Received:2013-06-22 Revised:2013-06-22 Online:2009-06-15 Published:2013-06-22
  • Contact: Zhang, L.
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Abstract: The structural change in a Cu59 cluster from solid-state to melt during heating was investigated with the molecular dynamics simulations based on embedded-atom potential. Analyzing the local change in atomic structure in the 4 shells, which are determined by the atomic density distribution function with rising temperature, it was found that the Cu59 cluster structure changed in 3 stages due to the continuous interatomic position interchange during heating. First, a near-icosahedral structure takes place, which is composed of thirteen atoms and formed inside the cluster. Then, the atomic structure within every shell gradually changes disorderly. Finally, the molten-state Cu59 cluster is formed, of which the atoms are distributed within 3 shells.

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