Molecular Dynamics Study of Phosphorus Migration in Σ3(111) and Σ5(0-13) Grain Boundaries of α-Iron

Phosphorus atoms in steels accumulate at grain boundaries via thermal and irradiation effects and induce grain boundary embrittlement, which is experimentally confirmed by an increase in the ductile-brittle transition temperature. Quantitative prediction of phosphorus segregation at grain boundaries...

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Bibliographic Details

Published in:	Metals
Main Authors:	Ken-ichi Ebihara, Tomoaki Suzudo
Format:	Article
Language:	English
Published:	MDPI AG 2022-04-01
Subjects:	grain boundary phosphorus segregation grain boundary embrittlement symmetrical tilt grain boundary phosphorus migration molecular dynamics simulation de-trapping process
Online Access:	https://www.mdpi.com/2075-4701/12/4/662