Hydrogen induced dislocation core reconstruction in bcc tungsten

Li, Yu-Hao; Zhou, Hong-Bo; Gao, Fei; Lu, Gang; Lu, Guang-Hong; Liu, Feng

doi:10.1016/j.actamat.2022.117622

Title: Hydrogen induced dislocation core reconstruction in bcc tungsten

Journal Article · 04 January 2022 · Acta Materialia

DOI: https://doi.org/10.1016/j.actamat.2022.117622 · OSTI ID:1976784

Li, Yu-Hao ^[1]; Zhou, Hong-Bo ^[2]; Gao, Fei ^[3]; Lu, Gang ^[4]; Lu, Guang-Hong ^[2]; Liu, Feng ^[5]

Beihang University, Beijing (China); OSTI
Beihang University, Beijing (China)
University of Michigan, Ann Arbor, MI (United States)
California State University, Northridge (CSUN), CA (United States)
University of Utah, Salt Lake City, UT (United States)

Dislocation, playing a crucial role in the plastic deformation of metals, can be significantly affected by introducing solute elements. Hydrogen (H) embrittlement is one such example, while the underlying mechanism for H affected dislocation structural stability and mobility remains unclear and the role of H has been controversial. Here, using first-principles calculations, we demonstrate that the effect of H on screw dislocation in bcc tungsten (W) is H concentration-dependent, signified by a H-induced transition of SD core structure. At low concentrations of H segregation, dislocation maintains the intrinsic easy-core structure, and H atoms are attached to the “periphery” of dislocation to enhance dislocation motion. In contrast, at high H concentrations, dislocation transforms into a hard-core, metal hydride-like structure, as H atoms become the “body” of dislocation to significantly reduce the dislocation mobility in W. Further, such local easy-to-hard transition can also be induced by the other solutes, including helium, carbon, nitrogen and oxygen. Our work sheds new light on the H-dislocation interactions in bcc W, having broad implications in the interstitial solute-related phenomena.

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Research Organization:: University of Utah, Salt Lake City, UT (United States)

Sponsoring Organization:: National Military-Civil Fusion Energy R&D Program; National Natural Science Foundation of China; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-04ER46148

OSTI ID:: 1976784

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Journal Issue: C Vol. 226; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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core structure
dislocation motion
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screw dislocation

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