Equation of State and Thermodynamic Properties of BCC Metals

Tóm tắt

The moment method in statistical dynamics is used to study the equation of state and thermodynamic properties of the bcc metals taking into account the anharmonicity effects of the lattice vibrations and hydrostatic pressures. The explicit expressions of the lattice constant, thermal expansion coefficient, and the specific heats C_V C_P of the bcc metals are derived within the fourth order moment approximation. The thermodynamic quantities of W, Nb, Fe, and Ta metals are calculated as a function of the pressure, and they are in good agreement with the corresponding results obtained from the first principles calculations and experimental results. The effective pair potentials work well for the calculations of bcc metals. AJSTD Vol.23(1&2) pp.27-42 (2006)