Al掺杂Mg/Mg2Sn合金界面的第一性原理计算
First Principles Calculation of Al-Doped Mg/Mg2Sn Alloy Interface
Al掺杂Mg/Mg2Sn合金界面的第一性原理计算 |
| 王福容, 张永梅, 柏国宁, 郭庆伟, 赵宇宏 |
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First Principles Calculation of Al-Doped Mg/Mg2Sn Alloy Interface |
| WANG Furong, ZHANG Yongmei, BAI Guoning, GUO Qingwei, ZHAO Yuhong |
| 图3 Mg(0001)/Mg2Sn(022)界面位置Ⅳ掺杂Al元素前后的界面能 |
| Fig.3 Interface energies of Mg(0001)/Mg2Sn(022) before (a) and after (b) doping Al element at position IV in Fig.1c (The intercept of the line in the figure represents the elastic strain energy, and the slope represents the interface energy. A—interface area, N—number of atoms in the interface, ΔGf—energy contained in a single atom in the interface) |
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