The behaviors of Sc and Ce segregation at Al (100)/δ´(100), Al (110)/δ´(110), and Al (111)/δ´(111) interfaces were theoretically predicted to explore the differences in the segregation effects in Al–Li alloys. The results show that Sc exhibits an evident trend to segregation to the Al/δ´ interface whereas this effect for Ce seems to be weak. The variation of the segregation energy is associated with the different orientation of the corresponding interface. The preferable segregated site is on the Al matrix side where the solutes tend to substitute the Al atom at the Li site for the first layer of the corresponding interface.

理论上预测了在Al（100）/ δ´（100），Al（110）/ δ´（110）和Al（111）/ δ´（111）界面下Sc和Ce的偏析行为，以探索在Al（100）/ δ´（100），Al（111）/ δ´（111）界面上Al-Li合金中的偏析作用。结果表明，Sc表现出明显的向Al / δ´界面偏析的趋势，而对Ce的影响似乎较弱。偏析能量的变化与相应界面的不同取向相关。优选的偏析位点在Al基体一侧，在该处溶质倾向于用Li位点的Al原子代替相应界面的第一层。