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Thermodynamic Evaluation of the Co-Al-C System by Coupling Ab Initio Calculations and CALPHAD Approach

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The ternary Co-Al-C system was thermodynamically assessed using the CALPHAD method based on the critical review of all experimental information in the system. The κ-carbide was described with a three-sublattice… Click to show full abstract

The ternary Co-Al-C system was thermodynamically assessed using the CALPHAD method based on the critical review of all experimental information in the system. The κ-carbide was described with a three-sublattice model (Al,Co)3(Al,Co)1(C,Va)1. To support the assessment, the enthalpies of formation of all end-members of the κ-carbide were studied by ab initio calculations. The solubility ranges of the carbon in the κ-carbide, the αCo and the AlCo (B2) phases were well reproduced. The equilibria involving the liquid phase were reasonably described using the present set of thermodynamic parameters.

Keywords: coupling initio; system; evaluation system; thermodynamic evaluation; initio calculations; system coupling

Journal Title: Journal of Phase Equilibria and Diffusion
Year Published: 2018

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