Diffusion in MgO-stabilized zirconia was studied by molecular dynamics simulation. The results showed that oxygen diffusion in this material could be controlled by the temperature and amount of MgO; an increase in either could promote oxygen diffusion. A further increase in temperature was helpful to oxide-ion diffusion. There was always a maximum value of oxygen diffusion coefficient which corresponded to a certain amount of MgO. In MgO-stabilized zirconia, the most suitable amount of MgO existed within a range which was decided by the working temperature of MgO-stabilized zirconia.

A Molecular Dynamics Simulation of Oxygen Diffusion in MgO Stabilized Zirconia. Wang, S., Li, Z., Liu, X., Zhang, H.:  Advanced Materials Research, 2011, 233-235, 2584-8