An approach towards a self-consistent EAM model for bcc metals Lithium and Vanadium

Abstract

Recently, a four-parameter embedding function that is sufficiently rich to handle both positive and negative Cauchy discrepancy  has been produced by modifying the embedding function of Yuan et al. (2003)¹, a modification to MEAM92, which failed to produce a reasonable surface energy when applied to bcc Vanadium V. We compute the three low-index surface energies of Li and V using the novel model Generalized Embedding Atom method (GEAM) (Oni-Ojo et al, 2007) parameters (iterated values), and the results fall within the experimental average.