Thermodynamic properties of refractory high entropy alloys
Thermodynamic properties of refractory high entropy alloys
复制标题
难熔高熵合金的热力学性能
DOI：
10.1016/j.jallcom.2016.04.320
复制
发表时间：
2016-10-15
影响因子：
6.2
通讯作者：
Wang, Dongping
中科院分区：
文献类型：
--
作者：
Song, Hongquan;Tian, Fuyang;Wang, Dongping
Hf-Nb-Ta-Ti-Zr高熵合金（HEAs）作为一种潜在的辐射损伤容限材料受到了广泛关注，但其在不同温度和高压下的热力学参数非常有限。本工作将超原胞理论的从头计算方法与准谐波Debye-Grneisen模型结合起来，联合收割机研究了HfNbZr，HfNbTiZr和HfNbTaTiZr难熔材料的热电子结构.在不同温度和压力P = 0和30 GPa下比较了本耐火HEAs的热膨胀、振动熵和比热。(C)2016爱思唯尔B. V.保留所有权利。
As the potential radiation damage-tolerant materials, Hf-Nb-Ta-Ti-Zr high entropy alloys (HEAs) attract considerable attention, whereas the thermodynamic parameters are very limited at different temperatures and under high pressure. In this work we combine the ab initio calculations of supercell with the quasi-harmonic Debye-Grneisen model to investigate the thermodynamic properties of the HfNbZr, HfNbTiZr and HfNbTaTiZr refractory HEAs. The thermal expansion, vibrational entropy, and specific heat of the present refractory HEAs are compared at different temperatures and under pressure P = 0 and 30 GPa. (C) 2016 Elsevier B.V. All rights reserved.