The O-vacancy distributions at grain boundaries, and the resultant grain-boundary conductivities, were calculated as a function of grain size; with the emphasis being placed on nanocrystalline materials. The cause of the so-called intrinsic grain-boundary blocking effect was analyzed, and the variation in grain-boundary conductivity with grain size was considered. The calculated results were in reasonable agreement with published experimental results. The feasibility of Bauerle’s equivalent circuit for nanocrystalline materials was evaluated.

Size Dependent Grain-Boundary Conductivity in Doped Zirconia. X.Guo: Computational Materials Science, 2001, 20[2], 168-76