Figure 2
From: Crystallite size-dependent metastable phase formation of TiAlN coatings
Calculated critical crystallite sizes and comparison with experimental data for Ti1−xAlxN. (a) Predicted d critical values of Ti0.5Al0.5N, Ti0.375Al0.625N and Ti0.25Al0.75N. Solid and dashed lines correspond to total energy values of c- and w-Ti1−xAlxN, respectively. (b) Comparison of d critical to crystallite sizes of Ti1−xAlxN coatings. Filled squares, filled stars and open circles represent experimental crystallite sizes of c- and w-Ti1−xAlxN and critical crystallite sizes, obtained by DFT. The solid line connecting d critical data serves as a guide to the eye. Data points with an orange frame indicate the selected Ti0.38Al0.62N coating for spatially-resolved characterization provided in Fig. 3.
