Computational thermochemistry: from its early Calphad days to a cost-effective role in materials development and processing

Abstract The significance of topics discussed at the first CALPHAD meeting with respect to present-day materials production and development is outlined. In particular, methods for obtaining lattice stability values for end members of nitride, carbide and oxide coating systems are described. Calculated results for the composition and temperature ranges of metastable phases in the AlN-TiN and A1N-Al 2 O 3 coating systems are compared with experimental results obtained using PVD deposition onto cold substrates.

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