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Calculation of surface energy of Cu crystal with modified embedded-atom method

Ma Fei Zhang Jian-Min Xu Ke-Wei

Calculation of surface energy of Cu crystal with modified embedded-atom method

Ma Fei, Zhang Jian-Min, Xu Ke-Wei
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  • Abstract views:  4215
  • PDF Downloads:  2052
  • Cited By: 0
Publishing process
  • Received Date:  05 December 2002
  • Accepted Date:  25 December 2002
  • Published Online:  05 April 2003

Calculation of surface energy of Cu crystal with modified embedded-atom method

  • 1. (1)陕西师范大学物理学与信息技术学院,西安 710062; (2)陕西师范大学物理学与信息技术学院,西安 710062;西安交通大学金属材料强度国家重点实验室,西安 710049; (3)西安交通大学金属材料强度国家重点实验室,西安 710049

Abstract: The surface energies on 12 different planes of Cu crystal have been calculated with modified embedded-atom method. The results show that the lowest surface ener gy, as predicted, corresponds to the close-packed plane (111) of face-centered c ubic (FCC) structure. The surface energies on other planes show a tendency to in crease with increasing angle between the planes and (111) plane. So the relative values in surface energy for other planes could be estimated by their geometric relationship. The geometric structure factors and the methods applied to determ ine them could be used directly for surface energy and other property calculatio ns in the materials with FCC structure. The (111) texture observed extensively i n Cu, Ag and other FCC films results from the surface energy minimization.

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