A simple analytical EAM model for some bcc metals

摘要

An analytical embedded atom method which can treat bcc transition metal iron has been developed. In this model, a new potential was presented and a modified term has been introduced to fit the negative Cauchy pressure P_C = (C_(12) - C_(44))/2 for Fe element. The new model was applied to calculate thermodynamic properties of binary alloys of the bcc transition metals; Fe, V and Cr. The calculated dilute-solution enthalpies and formation enthalpies of random alloys are in good agreement with the results of first principles calculations and that of the thermodynamic calculations.