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3(111) and 5(0-13) grain boundaries of 
-ironEbihara, Kenichi; Suzudo, Tomoaki
Metals, 12(4), p.662_1 - 662_10, 2022/04
Times Cited Count：2 Percentile：30.25(Materials Science, Multidisciplinary)Phosphorus atoms in steels accumulate at grain boundaries via thermal and/or irradiation effects and induce grain boundary embrittlement. Quantitative prediction of phosphorus segregation at grain boundaries under various temperature and irradiation conditions is therefore essential for preventing embrittlement. To develop a model of grain boundary phosphorus segregation in -iron, we studied the migration of a phosphorus atom in two types of symmetrical tilt grain boundaries (3[1-10](111) and 5[100](0-13) grain boundaries) using molecular dynamics simulations with an embedded atom method potential. The results revealed that, in the 3 grain boundary, phosphorus atoms migrate three-dimensionally mainly in the form of interstitial atoms, whereas in the 5 grain boundary, these atoms migrate one-dimensionally mainly via vacancy-atom exchanges. Moreover, de-trapping of phosphorus atoms and vacancies was investigated.
Nishiyama, Yutaka; Suzuki, Masahide
Kinzoku, 73(8), p.48 - 52, 2003/08
no abstracts in English
CNishiyama, Yutaka; Fukaya, Kiyoshi; Suzuki, Masahide; Eto, Motokuni
JAERI-Research 97-039, 29 Pages, 1997/06
JAERI-Research-97-039.pdf:1.41MB
no abstracts in English
Suzudo, Tomoaki; Yamaguchi, Masatake
no journal, ,
BCC transition metals are being discussed as candidates of structural materials in future nuclear systems, but their embrittlement at low temperatures is a concern. Besides, possibilities of so-called non-hardening embrittlement caused by grain boundary (GB) helium segregation have been pointed out. In the current study, we model GB helium segregation and following GB embrittlement based on the first principles calculations, and as an application of this modeling we numerically evaluate decrease in the GB strength of various BCC transition metals after they are exposed at the first wall of concept future nuclear fusion reactor, DEMO.
