Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron

Employing the empirical embedded-atom method potentials, the evolution of edge and screw dislocation core structure is calculated at different hydrogen concentrations. With hydrogen, the core energy and Peierls potential are reduced for all dislocations. A broaden-core and a quasi-split core structu...

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Detalles Bibliográficos
Autores principales: Wang, Shuai, Hashimoto, Naoyuki, Ohnuki, Somei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3783883/
https://www.ncbi.nlm.nih.gov/pubmed/24067268
http://dx.doi.org/10.1038/srep02760
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author Wang, Shuai
Hashimoto, Naoyuki
Ohnuki, Somei
author_facet Wang, Shuai
Hashimoto, Naoyuki
Ohnuki, Somei
author_sort Wang, Shuai
collection PubMed
description Employing the empirical embedded-atom method potentials, the evolution of edge and screw dislocation core structure is calculated at different hydrogen concentrations. With hydrogen, the core energy and Peierls potential are reduced for all dislocations. A broaden-core and a quasi-split core structure are observed for edge and screw dislocation respectively. The screw dislocation and hydrogen interaction in body-centred cubic iron is found to be not mainly due to the change of elastic modulus, but the variation of dislocation core structure.
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spelling pubmed-37838832013-09-30 Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron Wang, Shuai Hashimoto, Naoyuki Ohnuki, Somei Sci Rep Article Employing the empirical embedded-atom method potentials, the evolution of edge and screw dislocation core structure is calculated at different hydrogen concentrations. With hydrogen, the core energy and Peierls potential are reduced for all dislocations. A broaden-core and a quasi-split core structure are observed for edge and screw dislocation respectively. The screw dislocation and hydrogen interaction in body-centred cubic iron is found to be not mainly due to the change of elastic modulus, but the variation of dislocation core structure. Nature Publishing Group 2013-09-26 /pmc/articles/PMC3783883/ /pubmed/24067268 http://dx.doi.org/10.1038/srep02760 Text en Copyright © 2013, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-nd/3.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/
spellingShingle Article
Wang, Shuai
Hashimoto, Naoyuki
Ohnuki, Somei
Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron
title Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron
title_full Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron
title_fullStr Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron
title_full_unstemmed Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron
title_short Hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron
title_sort hydrogen-induced change in core structures of {110}[111] edge and {110}[111] screw dislocations in iron
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3783883/
https://www.ncbi.nlm.nih.gov/pubmed/24067268
http://dx.doi.org/10.1038/srep02760
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