Different segregation effects for Sc and Ce in an Al/δ´ interface

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.