A. Avinc et Vi. Dimitrov, Effective Lennard-Jones potential for cubic metals in the frame of embedded atom model, COMP MAT SC, 13(4), 1999, pp. 211-217
Generalized Lennard-Jones potentials are proposed in the frame of the embed
ded-atom method (EAM) of Daw and Baskes for homonuclear cubic metals. The b
asic functions of the model (the pair interaction potential, electron densi
ty function and embedding energy function) are presented in analytical form
s. It is shown that N-body Finnis-Sinclair potentials and Daw-Baskes embedd
ed atom potentials are mathematically equivalent. The developed potentials
suit very well most of the fee metals and alkali metals, and they are conve
nient for computer simulations. (C) 1999 Elsevier Science B.V. All rights r
eserved.