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 me...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.展开更多
文摘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.
