Thermodynamic assessment of the Ni-Co-Cr system and Diffusion Study of its fcc phase

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY(2020)

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Abstract
In the present work, the liquidus and solidus for a series of NixCo1-2xCrx alloys were measured by means of differential scanning calorimetry, and the first-principles calculations were performed to obtain total energies for all solid solutions and end-members of the intermediate phases in the Ni-Co-Cr ternary system. Various types of data from the present work and the literature were used in the assessments of the Ni-Co-Cr ternary system and sub-binary systems by the CALPHAD method, and were well reproduced by the present thermodynamic database. In addition, diffusion couples of fcc Co-Cr and Ni-Co-Cr alloys were assembled and annealed at different temperatures to extract interdiffusion coefficients. Experimental diffusion data from the present work and the literature, in conjunction with thermodynamic parameters, were adopted to assess the atomic mobilities of the fcc phase in the Ni-Co-Cr system. The calculated and experimental diffusion coefficients reach a satisfactory agreement. The diffusional kinetic database developed was further validated by appropriate predictions of composition profiles and diffusion paths.
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Key words
Thermodynamics,Diffusion,First-principles calculations,CALPHAD,Ni-Co-Cr
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