Thermodynamics optimization of the Be-Cr binary system
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Abstract
Based on experimental phase diagram data in literatures, thermodynamic assessment on the Be-Cr system was carried out using the Calphad method. Liquid and terminal solution phases in the Be-Cr system were described with the substitutional solution model, and the thermodynamic functions of stoichiometric intermediate compounds CrBe2 and CrBe12 were explained by the Neumann-Kopp rule. Thermodynamic parameters obtained by optimization were used to calculate the phase diagram of the Be-Cr system and the result shows a reasonable fit to the accepted experimental data. The enthalpies of formation for CrBe2 and CrBe12 intermediate compounds were also calculated by the Miedema model, and the obtained data are well consistent with those calculated using the thermodynamic parameters.
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