Elastic strain and stress determination by Rietveld refinement: generalized treatment for textured polycrystals for all Laue classes

Abstract

A novel approach to model diffraction line shifts caused by elastic residual or applied stresses in textured polycrystals is proposed. The model yields the complete strain and stress tensors as a function of crystallite orientation, as well as the average values of the macroscopic strain and stress tensors. It is particularly suitable for implementation in Rietveld refinement programs. The requirements on refinable parameters for all crystal Laue classes are given. The effects of sample symmetry are also included and the conditions for strain invariance to both the sample symmetries (texture and stress/strain) are discussed.