Abstract
The third-generation thermodynamic descriptions for Ta-Cr and Ta-V binary systems were performed to construct the reliable thermodynamic database for refractory high-entropy alloys (RHEAs) containing Laves phase. The third-generation Gibbs energy expressions of pure Cr and V in both solid and liquid phases were established, from which the thermodynamic properties and thermal vacancy can be well described. The thermodynamic descriptions of Ta-Cr and Ta-V over the whole composition and temperature regions were carried out based on the reviewed phase equilibria and thermodynamic data with the CALPHAD (CALculation of PHAse Diagrams) approach. Specifically, the thermodynamic parameters of C14 and C15 Laves phases were evaluated by combining the theoretically computed and experimentally measured thermodynamic properties as well as the semiempirical relations. The calculated phase diagrams and thermodynamic properties in Ta-Cr and Ta-V systems according to the present thermodynamic parameters had a nice agreement with the experimental data even down to 0 K, indicating the reliability of the present modeling.
Highlights
Academic Editors: GregoryRefractory high-entropy alloys (RHEAs) demonstrate excellent mechanical properties as well as good corrosion resistance and oxidation resistance up to 1600 ◦ C, making them considerable candidates for high-temperature applications [1–4]
A universal strategy to obtain reliable thermodynamic parameters in Laves phase will be proposed, and the thermodynamic modeling of the Ta-Cr and Ta-V binary systems will be performed via the CALPHAD approach
It is generally accepted that the effects of thermal vacancy on thermodynamic properties will become obvious with the temperature above 2/3Tm [18]
Summary
Refractory high-entropy alloys (RHEAs) demonstrate excellent mechanical properties as well as good corrosion resistance and oxidation resistance up to 1600 ◦ C, making them considerable candidates for high-temperature applications [1–4]. As thermal vacancy concentration near the melting point, has been proposed by combining the Segmented Regression (SR) model [15], two-state model [20] and thermal vacancy description [18] By applying such a model, a third-generation thermodynamic database for MoNbTaW RHEAs was developed [13]. To further develop the third-generation thermodynamic databases for Laves containing RHEAs, reliable thermodynamic descriptions for Laves phase are essential. Jiang et al [21,22] established the third-generation Gibbs energy of Laves phase in the Ta-Cr and Cr-Nb systems by considering the experimental heat capacity data with the SR model. A universal strategy to obtain reliable thermodynamic parameters in Laves phase will be proposed, and the thermodynamic modeling of the Ta-Cr and Ta-V binary systems will be performed via the CALPHAD approach
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