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Thermodynamic Properties of W x (TaTiVCr) 1− x High‐Entropy(‐Like) Alloy and Influence of Tungsten Content
Author(s) -
Yao XiaoJing,
Ma Li,
Jiang Shan,
Luo DongMing,
Gan GuoYong,
Wang Wei,
Tang BiYu
Publication year - 2019
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201800741
Subject(s) - thermodynamics , debye model , heat capacity , alloy , bulk modulus , materials science , entropy (arrow of time) , thermal expansion , softening , physics , metallurgy , composite material
Based on quasi‐harmonic Debye–Grüneisen model and thermal equation of state, thermodynamic properties of high‐entropy(‐like) alloy W x (TaTiVCr) 1− x ( x = 0.30–0.67) phases have been studied by first principles density functional theory calculations combined with special quasi‐random structure (SQS) model, and the influence of W content is predominantly emphasized. Present investigations show that bulk modulus B of W x (TaTiVCr) 1− x declines with increasing temperature, and the softening tendency is similar for various W content, although the strength of W x (TaTiVCr) 1− x demonstrates overall lowering with simultaneous alloying of Ta, Ti, V, and Cr. The thermal expansion coefficient of W x (TaTiVCr) 1− x rises nonlinearly with increasing temperature, and the increase rate is lowered with more W content. The temperature dependence of heat capacity at constant volume C V and constant pressure C P of W x (TaTiVCr) 1− x also exhibits analog behavior at various W content. Thermodynamic entropy of W x (TaTiVCr) 1− x increases dramatically with temperature, and the contribution from electronic entropy, configuration, and vibrational entropy is discussed in detail. In addition, the Debye‐temperature and Grüneisen parameter are also analyzed. The present results are very valuable for optimizing the composition and comprehensive properties of W‐containing high‐entropy(‐like) alloys.