The application of strain to yttria-stabilized zirconia, by sandwiching a thin epitaxial film of the latter between layers of a material with a larger lattice constant, was proposed as a means of increasing O-ion mobility. The mechanism which was involved in such an enhancement was investigated by means of molecular dynamics, using a CeO2/ZrO2 superlattice. It was found that the calculated diffusion coefficient of O ions in the superlattice was some 1.7 times higher than that in yttria-stabilized zirconia itself. This was attributed to a decreased activation barrier, brought about by strain in the yttria-stabilized zirconia structure.

Molecular Dynamics Simulation of Enhanced Oxygen Ion Diffusion in Strained Yttria-Stabilized Zirconia. K.Suzuki, M.Kubo, Y.Oumi, R.Miura, H.Takaba, A.Fahmi, A.Chatterjee, K.Teraishi, A.Miyamoto: Applied Physics Letters, 1998, 73[11], 1502-4