The application of strain to yttria-stabilized zirconia, realized by epitaxially sandwiching a thin film between layers of a material with larger lattice constant, was proposed as a means of enhancing oxygen ion mobility. The possible mechanism of such enhancement was investigated by molecular dynamics and a CeO2-yttria-stabilized zirconia superlattice. The calculated diffusion coefficient of oxygen ions in the superlattice was some 1.7 times higher than in yttria-stabilized zirconia alone, due to a decreased activation barrier resulting from straining the yttria-stabilized zirconia structure.

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