Application of statistical moment method to investigate mechanical properties of yttria-stabilized zirconia

Abstract The mechanical properties of yttria-stabilized zirconia (YSZ) crystal under extreme conditions are theoretically investigated using the analytic free energy formulas derived from the statistical moment method. We calculate the elastic moduli and constants under temperature up to 2100 K and pressure up to 20 GPa using Buckingham potential. The dopant concentration, temperature, and pressure dependences of the elastic moduli and constants of YSZ crystal are studied taking into account the anharmonic effects of the lattice vibrations. Our results are in reasonable agreement with previous experiments and simulations. This approach can then be developed extensively to investigate the thermodynamic and mechanical properties of the other ceramic materials used in solid oxide fuel cells.