Resolving pseudosymmetry in tetragonal ZrO2 using electron backscatter diffraction with a modified dictionary indexing approach

Abstract

Resolving pseudosymmetry has long presented a challenge for electron backscatter diffraction and has been notoriously challenging in the case of tetragonal ZrO2 in particular. In this work, a method is proposed to resolve pseudosymmetry by building upon the dictionary indexing method and augmenting it with the application of global optimization to fit accurate pattern centers, clustering of the Hough-indexed orientations to focus the dictionary in orientation space and interpolation to improve the accuracy of the indexed solution. The proposed method is demonstrated to resolve pseudosymmetry with 100% accuracy in simulated patterns of tetragonal ZrO2, even with high degrees of binning and noise. The method is then used to index an experimental data set, which confirms its ability to efficiently and accurately resolve pseudosymmetry in these materials. The present method can be applied to resolve pseudosymmetry in a wide range of materials, possibly even some more challenging than tetragonal ZrO2. Source code for this implementation is available online.