Phase behavior of elemental aluminum using Monte Carlo simulations

The thermodynamic properties of Al are calculated for two nonpairwise-additive potentials by using Monte Carlo simulations. The results have shown that the melting point for the embedded-atom model is higher than the experimental value and the embedded-atom (EAM) potential has yielded improved binding energies for smaller clusters, a small fraction of aggregates in the saturated vapor phase, and hence an accurate heat of vaporization and boiling point.