The Grain Boundary Diffusion Kinetics in Nanocrystalline Zirconia

It is expected that the grain boundary diffusion is the principal contributor to the transport properties of nanocrystalline zirconia, and that it controls the oxidation kinetics and hydrogen permeation. This process depends on the grain boundary character distribution (i.e. the fractions of different grain boundary types) and on the topological characteristics of the grain boundary network. Modeling of the random walk problem on a planar honeycomb network for different types of the grain boundary misorientation distributions (GBMD) in nanocrystalline zirconia film is presented in the current paper. The GBMD was calculated using the model texture. Changes of the oxidation rate for different types of the grain boundary character distribution and different ratios of the bulk and grain boundary diffusion coefficients are analyzed. In this study it was found that an increase of the frequency of low energy boundaries lowers the oxidation rate.