Expanding FOX for Microstructure Analysis

Z. Matěj*, L. Nichtová, R. Kužel

Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Praha 2, Czech Republic

e-mail*: matej@karlov.mff.cuni.cz

Program FOX for structure solution from powder diffraction was extended by routines for x‑ray microstructure analysis of small-grain or defect materials, thin films, or strained and textured samples in different diffraction geometries. General interface for convolution of various profile broadening models was created. It is possible to handle both physically relevant as same as phenomenological broadening models. Second part of extensions involves intensity corrections for texture and absorption in layered samples. General texture calculator can be used for other purposes such as pole figure simulation. Program was applied to strongly deformed metal (Cu) samples and to nanocrystalline TiO2 powders and thin films.