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Atomistic modeling of He embrittlement at grain boundaries of $$alpha$$-Fe; A Common feature over different grain boundaries

Suzudo, Tomoaki   ; Yamaguchi, Masatake   ; Tsuru, Tomohito   

He atoms introduced to materials may lead them to intergranular fracture, and understanding such an effect is a key issue for the design of future fusion reactors. In the present study, we investigated the decrease of grain boundary (GB) strength caused by He segregation at several kinds of $$alpha$$-Fe GBs by exploiting the first principles calculations and a set of empirical potentials. We found enough evidence to support the notion that the GB cohesive energy, a critical measure of GB strength, approximately scales with the He concentration at the GB surface, regardless of the GB type.

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Category:Materials Science, Multidisciplinary

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