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Effective Lennard–Jones potential for cubic metals in the frame of embedded atom model

Authors
Journal
Computational Materials Science
0927-0256
Publisher
Elsevier
Publication Date
Volume
13
Issue
4
Identifiers
DOI: 10.1016/s0927-0256(98)00091-3
Disciplines
  • Mathematics

Abstract

Abstract Generalized Lennard–Jones potentials are proposed in the frame of 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 presented in analytical forms. It is shown that N-body Finnis–Sinclair potentials and Daw–Baskes embedded atom potentials are mathematically equivalent. The developed potentials suit very well most of the fcc metals and alkali metals, and they are convenient for computer simulations.

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