ZHAO Qing 1, WANG Sen 1,Keith Refson 2
（1.High Temperature Materials and Magnesium Resources Engineering College, University of Science and Technology Liaoning, Anshan, Liaoning 114051, China; 2. Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire, OX 110 QX, U.K）
Abstract: Oxygen diffusion in MgO-stabilized zirconia and CaO-stabilized zirconia has been studied by molecular dynamics simulation with MOLDY software. The results illustrate that oxygen diffusion in MgO-stabilized zirconia and CaO-stabilized zirconia is very similar, which can be decided by the temperature and the doping amount of MgO or CaO. There is a maximum value of oxygen diffusion coefficient corresponding to a certain amount of MgO or CaO. The mechanism of oxygen diffusion is vacancy diffusion.
Key words: stabilized zirconia; molecular dynamics; oxygen diffusion