kinetic Monte Carlo framework, to calculate long-term O diffusivities. Simulation results showed that the O diffusivity attained a maximum value at around 0.1 mole fraction yttria. This variation in the O diffusivity, with yttria mole fraction, and the calculated values for the diffusivity agreed well with experiment. The competing effects of increased O vacancy concentration and increasing activation energy and correlation effects for O diffusion, with increasing yttria mole fraction, were responsible for the observed dopant content dependence of the O diffusivity.

Oxygen Diffusion in Yttria-Stabilized Zirconia - a New Simulation Model. R.Krishnamurthy, Y.G.Yoon, D.J.Srolovitz, R.Car: Journal of the American Ceramic Society, 2004, 87[10], 1821