Paper Title:
Energy and Structure of Copper Clusters(n=2-70,147,500) Studied by the Monte Carlo Method
  Abstract

The Monte Carlo(MC) and Embedded-Atoms Method(EAM) potential are employed to investigate the structures and binding energies of copper clusters. Three results are obtained: first, the copper clusters are formed by gradually increasing atoms to icosahedral surface when the temperature is 300K and the number of atoms is from 2 to 70; second, the higher the symmetries are, the more stable the structures of copper clusters are; third, copper clusters tend to be stereo construction but not planer construction when the number of atoms is less. The structure of Cu147 is three-fly-icosahedron when the system of 147 atoms reached equilibrium at 300K. And at 700K, all 500 atoms form clusters in gas phase.

  Info
Periodical
Solid State Phenomena (Volumes 121-123)
Edited by
Chunli BAI, Sishen XIE, Xing ZHU
Pages
607-610
DOI
10.4028/www.scientific.net/SSP.121-123.607
Citation
M. L. Zhang, G. P. Li, "Energy and Structure of Copper Clusters(n=2-70,147,500) Studied by the Monte Carlo Method", Solid State Phenomena, Vols. 121-123, pp. 607-610, 2007
Online since
March 2007
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