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Thermodynamic assessments have been performed for the Ni-Ti binary and Ni-Cr-Ti ternary system by the CALPHAD method. Combining the experimental and ab initio calculated data on the enthalpies of formation of Ni-Ti compounds, a better description for Ni-Ti phases has been obtained. Based on the new assessments of the binary sub-systems and the recent experimental data on phase equilibria, a reassessment...
The phase equilibria, thermodynamic properties and diffusion mobilities of the Fe-Co system were carefully assessed through the CALPHAD methods. As an indispensable tool, the first-principles calculations were carried out to study the magnetic moments and the enthalpies of mixing of the bcc_A2, bcc_B2, fcc_A1 and hcp_A3 phases as well as the point defect types of the bcc_B2 phase. In order to verify...
Solid state phase change materials are considered as potential candidates for thermal energy storage. Among the solid–solid heat storage materials, the most promising heat storage materials are organic polyalcohol globular tetrahedral molecular crystals such as (CH3)C(CH2OH)3 for PG, (NH2)C(CH2OH)3 for TRIS, and (CH3)(NH2)C(CH2OH)2 for AMPL, which store a large amount of thermal energy in their solid...
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