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Cluster variation method (CVM) and path probability method (PPM) havegenerally been employed to study replacive phase transitions in alloy systems.Recently, displacive phase transitions have been explored within the realm ofreplacive phase transition in the CVM theoretical framework by viewingdisplaced atoms as different atomic species, i.e., by converting a freedom ofatomic displacement to a configurational freedom. The same methodology isapplied to the PPM calculations in this work, and the kinetics of displacivephase transition from tetragonal to cubic phases in ZrO2 are investigated aswell as their equilibrium states.

Application of Cluster Variation and Path Probability Methods to the Tetragonal-Cubic Phase Transition in ZrO2