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JOURNALS // Chemical Physics and Mesoscopics // Archive

CPM, 2015 Volume 17, Issue 4, Pages 549–556 (Mi chphm234)

Molecular dynamics simulation of interaction of an edge dislocation and a zero-dimensional crystal defects in the system of Fe-H

I. L. Nagornykh, I. N. Burnyshev

Institute of Mechanics, Ural Branch of the Russian Academy of Sciences, Izhevsk, Russia

Abstract: In the present work the developed technique and the results of numerical calculations of researching edge dislocation $\frac a2$<$111$>$\{110\}$ in bcc-iron under temperatures $0.1$ Ê and $300$ Ê behavior are presented. The edge dislocation, containing hydrogen Cottrell atmosphere, behavior near a zero-dimensional crystal defect has been considered. It has been shown that hydrogen may reduce the mechanical stress required to the dislocation overcome the field, made by that defect, by two times.

Keywords: molecular dynamic model, edge dislocation, edge dislocation interaction with hydrogen atoms, HELP-model hydrogen embrittlement.

UDC: 621.785.53



© Steklov Math. Inst. of RAS, 2024