The effect of microstructure on the thermal stability and hardness of the cathodic arc evaporated Ti_0.5Al_0.5N coatings was investigated with the aid of the in-situ high-temperature X-ray diffraction experiments, which were accompanied by high-resolution transmission electron microscopy (HRTEM) and nanoindentation measurements. The microstructure of the coatings was modified through the choice of the bias voltage in the deposition process. It was found that the bias voltage affects strongly the uniformity of the local distribution of titanium and aluminum in the coatings. The nonuniform distribution of the elements contributes to the formation of lattice strains at the crystallite and phase boundaries. The lattice strains at the crystallite boundaries increase the hardness of the coatings; the lattice strains at the phase boundaries improve their thermal stability. A certain nonuniformity of the distribution of the metallic species in the coatings is regarded as advantageous. However, a great nonuniformity in the distribution of the metallic species accelerates the degradation of the coatings at high temperatures. As a measure for the nonuniformity of the distribution of the atomic species in the as-deposited (Ti, Al) N samples, the stress-free lattice parameter of fcc-(Ti, Al) N is suggested.

The possibilities of modelling the diffraction profiles from bimodal microstructure in computer program MSTRUCT are demonstrated on two examples. A special “Double Component” profile effect can be utilized for such problems. At first it was applied to an analysis of a mixture of two nanocrystalline anatase powders with different crystallite sizes and the relative ratio of both components was determined from X-ray diffraction data. In the second case study, diffraction peaks from a pure polycrystalline copper sample treated by equal channel angular pressing were fitted using a two-phase model of large recrystallized defect-free grains and ultrafine crystallites with high dislocation density. The method is shown to be suitable for determination of the relative fraction of the microstructural components as well as other parameters (e.g. dislocation density).