Embedded atom method for materials with a negative Cauchy discrepancy

Abstract

An earlier suggested generalized embedding function by Oni-Ojo et al [J. Nig. Ass. Math. Phys. Vol. 9, 507 (2005) [2]] is here utilized to set up an embedded –atom method (EAM) for materials with a negative Cauchy discrepancy. To be able to do this it was found necessary to drop the usual assumptions that the curvature of the embedding function must be positive definite, while its slope must be negative. Concrete results are provided for the material strontium (Sr).

JONAMP Vol. 11 2007: pp. 509-515