Articles with "coupling initio" as a keyword



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

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Published in 2018 at "Journal of Phase Equilibria and Diffusion"

DOI: 10.1007/s11669-018-0636-1

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… read more here.

Keywords: coupling initio; system; evaluation system; thermodynamic evaluation ... See more keywords