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An Alternative Parameterization of Embedded-atom Method for Cu, Ag, Au, Ni, Pd and Pt 被引量:1

An Alternative Parameterization of Embedded-atom Method for Cu, Ag, Au, Ni, Pd and Pt
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摘要 A simple parameterization of embedded atom method is proposed and two adjustable parameters are introduced to describe the pairwise potential and electron density. The embedded energy functions are obtained for fee metals Cu, Ag, Au, Ni, Pd and Pt through the standard fitting procedure of embedded atom method. To test the validity of the obtained functions, the formation energy of various defects are calculated. A simple parameterization of embedded atom method is proposed and two adjustable parameters are introduced to describe the pairwise potential and electron density. The embedded energy functions are obtained for fee metals Cu, Ag, Au, Ni, Pd and Pt through the standard fitting procedure of embedded atom method. To test the validity of the obtained functions, the formation energy of various defects are calculated.
机构地区 CHINESE ACAD SCI
出处 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 1996年第2期149-152,共4页 材料科学技术(英文版)
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