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屈华,齐健学,刘伟东,徐巧至.Al-Cu-Mg-Ag合金Ω/Mg-Ag/α界面价电子结构分析[J].稀有金属材料与工程(英文),2020,49(10):3419~3424.[Qu Hua,Qi Jianxue,Liu Weidong and Xu Qiaozhi.Valence electron structure analysis of the interface between W/Mg-Ag/a in Al-Cu-Mg-Ag alloy[J].Rare Metal Materials and Engineering,2020,49(10):3419~3424.]
Valence electron structure analysis of the interface between W/Mg-Ag/a in Al-Cu-Mg-Ag alloy
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Received:March 15, 2020  Revised:April 03, 2020
DOI:
Key words: Al-Cu-Mg-Ag alloy  W phase  interface  valence electron structure(VES)  interface properties
Foundation item:辽宁省科技厅辽宁省科学技术计划项目(SY2016008)
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Qu Hua,Qi Jianxue,Liu Weidong and Xu Qiaozhi  
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Abstract:
      Based on the empirical electron theory of solids and molecules, the VESs of the matrix a, Mg-Ag segregation area, W phase and the interfaces of W/Mg-Ag/a, W//a were calculated after studying the interface atom structure between the matrix a and W phase, then the relationship between the interface VESs W/Mg-Ag/a and the interface properties was analyzed in Al-Cu-Mg-Ag alloy in this paper. The results show that the continuity of the outer of W/Mg-Ag/a is better than that of the inner because that the electron density difference of Mg-Ag/a is 16.54% and that of W/Mg-Ag is 50.73%. The Mg-Ag layer makes the interface electron density difference of W/a decrease by 1.13%, while it makes the strongest covalence band force and the covalence electron density in (111)a increase by 14.52% and 146.87% respectively, it also makes the strongest covalence band force and the covalence electron density in (111)W increase by 45.85% and 45.30% respectively. The existence of Mg-Ag layer enhances the alloy strength and toughness owing to it increasing the obstruction of W phase to the dislocation, the interface continuity, the interface binding force and stability while it decreasing the interface electron density differences and the interface stress.