Zeitschrift Fur Physik B-Condensed Matter
An analytical embedded atom method (EAM) model, which can treat bcc transition metal Chromium, 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 element Cr. The new model was applied to calculating the thermodynamic properties of binary alloys of all bcc transition metals V, Nb, Ta, Cr, Mo, W and Fe. The calculated dilute-solution enthalpies and formation enthalpies of random alloys are in good agreement with the experimental data available, the results from the first-principles calculations, and the results of thermodynamic calculations.
关键词:
embedded-atom-method;order-disorder transitions;thermodynamic;properties;iron-vanadium;alloys;hydrogen;cu;pd(111);ni;pd
