### 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

studied.

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

studied.