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Entropy-stabilized binary alloys
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DOI：10.1016/j.scriptamat.2023.115765.png)
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摘要
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Alloying W with Re is an effective method for improving its intrinsic ductility. The solubility limit of Re in W is similar to 27% at 851 K. However, this alloy possesses a high enthalpy of formation, which can result in phase-instability. Configurational entropy alone cannot stabilize this alloy as a single-phase solid solution. Recent research questions the importance of configurational entropy in determining the single-phase stability of complex, concentrated solid solutions and suggests that vibrational entropy may play a critical role. The question arises: Can vibrational entropy contribute significantly enough to ensure single-phase stability in a binary alloy? Our first-principles phonon calculations using density functional theory demonstrate that vibrational entropy is equally essential as the configurational entropy in promoting the formation of a single-phase solid solution in WRe binary alloys. This finding necessitates revisiting the role of vibrational entropy in the single-phase stability of binary alloys.
Keyword:
First-principles phonon calculation
Refractory metals
Thermodynamics
Density functional theory
期刊
IF:
5.6
论文数:
1.6W
被引数:
5.1W
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