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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 ...
Solution-based thermodynamic modeling of the Ni–Ta and Ni–Mo–Ta systems using first-principle calculations
Solution-based thermodynamic descriptions of the Ni–Ta and Ni–Mo–Ta systems are developed with supporting first-principles calculations and reported experimental data for parameter evaluation. For the Ni–Ta system, the ...
Thermodynamics of Ti–Ni shape memory alloys
The thermodynamics of the Ti–Ni system are reviewed, and CALPHAD descriptions of metastable intermetallic phases are presented. These phases play an important role as precipitates in shape memory alloys. Metastable Ti3Ni4 ...
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 ...