Polycrystal X-ray diffraction modelling: Grazing incidence versus Bragg-Brentano

Abstract

Diffraction-based texture analysis plays a significant role in the investigation of the physical properties of materials. The development of computer-aided tools for this research area facilitates quantitative validation of proposed orientation distribution models. We analyze the differences between Bragg-Brentano and grazing-incidence diffraction experiments from the point of view of texture characterization. New software packages for modelling Bragg-Brentano and grazing-incidence (one- A nd two-dimensional) XRD patterns produced by axially-textured polycrystals are presented. A case study based on a virtual experiment with a BaTiO3 sample is presented. The effect of texture on the diffraction patterns obtained by application of the different techniques considered differs significantly.