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Thermodynamic modeling of the Co–Hf system supported by key experiments and first-principles calculations
Phase equilibria and thermodynamic properties of the Co–Hf system were investigated via calorimetric measurements, first-principles calculations and thermodynamic modeling. Heat contents of Co2Hf and CoHf2 were measured ...
Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations
A new thermodynamic description of the Re–Ti binary system has been developed by complimenting the CALPHAD modeling technique with first-principles calculations based on density functional theory. Finite temperature ...