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
A First Principles Investigation of W1 - x Ir x Alloys: Structural, Electronic, Mechanical, and Thermal Properties
(a) W98.15Ir1.85 (b) W96.30Ir3.70 (c) W87.04Ir12.96
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 |
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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5 不同W-Ir合金中Ir与第一近邻W原子所成的Ir—W1键以及Ir与第二近邻W原子所成的Ir—W2键的投影晶体轨道Hamilton布局(pCOHP)曲线 (a) W98.15Ir1.85 (b) W96.30Ir3.70 (c) W87.04Ir12.96 |
| Fig.5 Relationships between energy and projected crystal orbital Hamiltonian population (pCOHP) for different W-Ir alloys (Ir—W1 (Ir—W2) refers to the bonding between Ir and its 1st (2nd) nearest neighbor W atoms) |
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