W1 - x Ir x 固溶合金几何结构、电子结构、力学和热力学性能的第一性原理计算

皇甫顥, 王子龙, 刘永利, 孟凡顺, 宋久鹏, 祁阳

A First Principles Investigation of W1 - x Ir x Alloys: Structural, Electronic, Mechanical, and Thermal Properties

HUANGFU Hao, WANG Zilong, LIU Yongli, MENG Fanshun, SONG Jiupeng, QI Yang

图8 不同W-Ir二元合金的自由能(F)、熵(S)、焓(H)和比热容(cV)与温度的依赖关系

Fig.8 Temperature dependences of free energy (F) (a), entropy (S) (b), enthalpy(H) (c), and heat capacity (cV ) (d) for different W-Ir binary alloys (Insets show the locally enlarged plots)