Min Kong, Jing-Jing Wu, Tian-Ru Han, Xin Tang. Corrosion mechanism of T1 phase in Al-Cu-Li alloy: First-principles calculations [J]. Acta Physica Sinica, 2020, 69(2): 027101-1
- Acta Physica Sinica
- Vol. 69, Issue 2, 027101-1 (2020)
Fig. 1. Surface selection of (001), (100), (010) phase.T1相(001), (100), (010) 3个晶面的切面方向
Fig. 2. The configurations of different surfaces.不同面的原子构型
Fig. 3. Atomic configurations of (a) surface I , (b) surface F and (c) surface H before and after relaxation.
(a)面I , (b)面F , (c)面H 3个终结面弛豫前后原子构型
Fig. 4. Electron density distribution of (a) surface A , (b) surface C , (c) surface E, and (d) surface J .
(a)面A , (b)面C , (c)面E 以及(d)面J 的电子密度分布
Fig. 5. Surface energy of surface B with strain.
面B 应变条件下表面能的变化
Fig. 6. Work function of surface I with strain state.
面I 应变条件下电子功函数的变化
Fig. 7. Interface model and atomic substitution positions.界面模型及其原子替换位置
Fig. 8. The substitution energies of Mg, Zn and Ag in Al(111)/T1(010) interface.Mg, Zn和Ag在Al(111)/T1(010)界面的替位能
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Table 1.
The surface energies and electron work functions of ten surfaces.
T1相10个终结面的表面能和电子功函数
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Table 2.
Fluctuation of surface energy and work function with strain.
应变条件下表面能和功函数的波动量
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