LS1 - a computer program for simultaneous refinement of material structure and microstructure

A computer program has been written to introduce profile analysis into the Rietveld method. The devised algorithm simultaneously refines both structural and microstructural parameters, also accounting for anisotropy in crystallite size and microstrain. Instead of using phenomenological relations to describe the trend of profile width and shape as a function of diffraction angle, a model based on the Warren-Averbach approach has been developed that permits extraction of more information from data, also achieving faster convergence.