Near-coincidence lattice method for the determination of epitaxy strains during oxidation of metals Original Research Article

A theoretical method is proposed to evaluate the strains due to epitaxy between a metal and its oxide. Based on Bollmann’s approach of two adjoining grains, it uses the quantitative texture analysis of the two materials separated by the phase boundary. Our study of the Zr/ZrO2 and Mo/MoO3 systems reveals strong correlations between the criterion of best fit proposed by Bollmann and the orientation distribution function obtained by a quantitative texture analysis. The results of this study are used in a thermo-mechano-chemical simulation of the oxidation process of zirconium, which leads to this observation: two different zirconia orientations induce two different oxidation kinetics.