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Empirical n‐body potential for cubic metals
Author(s) -
Dimitrov V. I.
Publication year - 1996
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221960115
Subject(s) - homonuclear molecule , embedding , function (biology) , cauchy distribution , atom (system on chip) , embedded atom model , anisotropy , pair potential , statistical physics , potential energy , physics , mathematics , mathematical analysis , classical mechanics , quantum mechanics , computer science , molecular dynamics , molecule , artificial intelligence , evolutionary biology , biology , embedded system
Many‐body empirical model potentials are formulated in the frameof the embedded‐atom method (EAM) of Daw and Baskes for homonuclear cubic metals. The basic functions of the model (the pair interaction potential electron density function, and embedding energy function) are presentedin analytical forms which do not impose limitations at least on the basic properties of the system like Cauchy discrepancy, equal anisotropy ratio imposed by the Johnson's EAM potential, etc. The developed potentials areconvenient for computer simulations.