Embedded Atom Method Model for Close-Packed Metals
A simple embedded atom method (EAM)1,2 model for close-packed metals has recently been presented3. In this model, both the electron density function and the two-body potential are taken as exponentially decreasing functions, and the embedding energy was obtained from a modification of the equation of state given by Rose et al.4 using the method developed by Foiles5. In this model, however, the cutoff procedures for the electron density function and the two-body potential were not specified and the embedding energy was a tabulated function of total electron density. Thus, we refined this model by introducing: (1) a smooth cutoff function for the electron density function and the two-body potential, and (2) an analytic form of the embedding energy function.
KeywordsElectron Density Function Embed Atom Method Embed Atom Method Vacancy Formation Energy Total Electron Density
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