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Impact of interstitial impurities on the trapping of dislocation loops in tungsten

Ab initio simulations are employed to assess the interaction of typical interstitial impurities with self-interstitial atoms, dislocation loops and edge dislocation lines in tungsten. These impurities are present in commercial tungsten grades and are also created as a result of neutron transmutation...

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Autores principales: Bakaev, Alexander, Bonny, Giovanni, Castin, Nicolas, Terentyev, Dmitry, Bakaev, Viktor A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8192948/
https://www.ncbi.nlm.nih.gov/pubmed/34112838
http://dx.doi.org/10.1038/s41598-021-91390-1
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author Bakaev, Alexander
Bonny, Giovanni
Castin, Nicolas
Terentyev, Dmitry
Bakaev, Viktor A.
author_facet Bakaev, Alexander
Bonny, Giovanni
Castin, Nicolas
Terentyev, Dmitry
Bakaev, Viktor A.
author_sort Bakaev, Alexander
collection PubMed
description Ab initio simulations are employed to assess the interaction of typical interstitial impurities with self-interstitial atoms, dislocation loops and edge dislocation lines in tungsten. These impurities are present in commercial tungsten grades and are also created as a result of neutron transmutation or the plasma in-take process. The relevance of the study is determined by the application of tungsten as first wall material in fusion reactors. For the defects with dislocation character, the following ordering of the interaction strength was established: H < N < C < O < He. The magnitude of the interaction energy was rationalized by decomposing it into elastic (related to the lattice strain) and chemical (related to local electron density) contributions. To account for the combined effect of impurity concentration and pinning strength, the impact of the presence of these impurities on the mobility of isolated dislocation loops was studied for DEMO relevant conditions in the non-elastic and dilute limit.
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spelling pubmed-81929482021-06-14 Impact of interstitial impurities on the trapping of dislocation loops in tungsten Bakaev, Alexander Bonny, Giovanni Castin, Nicolas Terentyev, Dmitry Bakaev, Viktor A. Sci Rep Article Ab initio simulations are employed to assess the interaction of typical interstitial impurities with self-interstitial atoms, dislocation loops and edge dislocation lines in tungsten. These impurities are present in commercial tungsten grades and are also created as a result of neutron transmutation or the plasma in-take process. The relevance of the study is determined by the application of tungsten as first wall material in fusion reactors. For the defects with dislocation character, the following ordering of the interaction strength was established: H < N < C < O < He. The magnitude of the interaction energy was rationalized by decomposing it into elastic (related to the lattice strain) and chemical (related to local electron density) contributions. To account for the combined effect of impurity concentration and pinning strength, the impact of the presence of these impurities on the mobility of isolated dislocation loops was studied for DEMO relevant conditions in the non-elastic and dilute limit. Nature Publishing Group UK 2021-06-10 /pmc/articles/PMC8192948/ /pubmed/34112838 http://dx.doi.org/10.1038/s41598-021-91390-1 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Bakaev, Alexander
Bonny, Giovanni
Castin, Nicolas
Terentyev, Dmitry
Bakaev, Viktor A.
Impact of interstitial impurities on the trapping of dislocation loops in tungsten
title Impact of interstitial impurities on the trapping of dislocation loops in tungsten
title_full Impact of interstitial impurities on the trapping of dislocation loops in tungsten
title_fullStr Impact of interstitial impurities on the trapping of dislocation loops in tungsten
title_full_unstemmed Impact of interstitial impurities on the trapping of dislocation loops in tungsten
title_short Impact of interstitial impurities on the trapping of dislocation loops in tungsten
title_sort impact of interstitial impurities on the trapping of dislocation loops in tungsten
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8192948/
https://www.ncbi.nlm.nih.gov/pubmed/34112838
http://dx.doi.org/10.1038/s41598-021-91390-1
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