Application of the whole powder pattern decomposition procedure in the residual stress analysis of layers and coatings

• Analysis of complex multiphase diffraction patterns with respect to residual stress
• Stress-gradient determination with in situ correction of displacement and refraction
• Consideration of the elastic anisotropy within the refinement

The X-ray investigation of stress states in materials, based on the determination of elastic lattice strains which are converted to stresses by means of theory of elasticity, is a necessity in quality control of thin layers and coatings for optimizing manufacturing steps and process parameters.This work introduces the evaluation of residual stress from complex and overlapping diffraction patterns using a whole-powder pattern decomposition procedure defining a 2θ-offset caused by residual stresses. Furthermore corrections for sample displacement and refraction are directly implemented in the calculation procedure. The correlation matrices of the least square fitting routines have been analyzed for parameter interactions and obvious interdependencies have been decoupled by the introduction of an internal standard within the diffraction experiment. This decomposition based evaluation has been developed on tungsten as a model material system and its efficiency was demonstrated by X-ray diffraction analysis of a solid oxide fuel cell multilayer system. The results are compared with those obtained by the classical sin2Ψ-method.