Advances in Natural Sciences, T. 7, S. 1 (2006)

Cỡ chữ:  Nhỏ  Vừa  Lớn

Investigation of Thermodynamic Quantities of Cubic Zirconia by Statistical Moment Method

Vu Van Hung, Le Thi Mai Thanh, Nguyen Thanh Hai

Tóm tắt

We have investigated the thermodynamic properties of the cubic zirconia ZrO2
using the statistical moment method in the statistical physics. The free energy, thermal
lattice expansion coefficient, specific heats at the constant volume and those at the constant
pressure, CV and CP , are derived in closed analytic forms in terms of the power moments of
the atomic displacements. The present analytical formulas including the anharmonic effects
of the lattice vibrations give the accurate values of the thermodynamic quantities, which are
comparable to those of the ab initio calculations and experimental values. The calculated
results are in agreement with experimental findings. The thermodynamic quantities of the
cubic zirconia are predicted using two different inter-atomic potential models. The influence
of dipole polarization effects on the thermodynamic properties for cubic zirconia have been