Calculation of thermodynamic quantities of F.C.C. and B.C.C. metals using EAM potentials

The moment method in the statistical dynamics is used to study the thermodynamic properties of metals taking into account the anharmonicity effects of the lattice vibrations. The effective pair potentials work well for the calculations of metals. For obtaining better agreement of the thermodynamic quantities of metals like Nb, the many body potentials derived from the microscopic electronic theory are used. The theoretical calculations of the thermodynamic properties are in good agreement with the corresponding experimental results. (author)