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Shockwave generates < 100 > dislocation loops in bcc iron

The formation mechanism of < 100 > interstitial dislocation loops in ferritic steels stemming from irradiation remains elusive, as their formations are either too short for experiments, or too long for molecular dynamics simulations. Here, we report on the formation of both interstitial and va...

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Autores principales: Peng, Qing, Meng, Fanjiang, Yang, Yizhong, Lu, Chenyang, Deng, Huiqiu, Wang, Lumin, De, Suvranu, Gao, Fei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6240105/
https://www.ncbi.nlm.nih.gov/pubmed/30446642
http://dx.doi.org/10.1038/s41467-018-07102-3
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author Peng, Qing
Meng, Fanjiang
Yang, Yizhong
Lu, Chenyang
Deng, Huiqiu
Wang, Lumin
De, Suvranu
Gao, Fei
author_facet Peng, Qing
Meng, Fanjiang
Yang, Yizhong
Lu, Chenyang
Deng, Huiqiu
Wang, Lumin
De, Suvranu
Gao, Fei
author_sort Peng, Qing
collection PubMed
description The formation mechanism of < 100 > interstitial dislocation loops in ferritic steels stemming from irradiation remains elusive, as their formations are either too short for experiments, or too long for molecular dynamics simulations. Here, we report on the formation of both interstitial and vacancy dislocation loops in high energy displacement cascades using large-scale molecular dynamics simulations with up to 220 million atoms. Riding the supersonic shockwave generated in the cascade, self-interstitial atoms are punched out to form < 100 > dislocation loops in only a few picoseconds during one single cascade event, which is several orders of magnitude faster than any existing mechanisms. The energy analysis suggests that the formation of the interstitial loops depends on kinetic energy redistribution, where higher incidence energy or larger atom mass could improve the probability of the direct nucleation of interstitial dislocation loops.
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spelling pubmed-62401052018-11-19 Shockwave generates < 100 > dislocation loops in bcc iron Peng, Qing Meng, Fanjiang Yang, Yizhong Lu, Chenyang Deng, Huiqiu Wang, Lumin De, Suvranu Gao, Fei Nat Commun Article The formation mechanism of < 100 > interstitial dislocation loops in ferritic steels stemming from irradiation remains elusive, as their formations are either too short for experiments, or too long for molecular dynamics simulations. Here, we report on the formation of both interstitial and vacancy dislocation loops in high energy displacement cascades using large-scale molecular dynamics simulations with up to 220 million atoms. Riding the supersonic shockwave generated in the cascade, self-interstitial atoms are punched out to form < 100 > dislocation loops in only a few picoseconds during one single cascade event, which is several orders of magnitude faster than any existing mechanisms. The energy analysis suggests that the formation of the interstitial loops depends on kinetic energy redistribution, where higher incidence energy or larger atom mass could improve the probability of the direct nucleation of interstitial dislocation loops. Nature Publishing Group UK 2018-11-16 /pmc/articles/PMC6240105/ /pubmed/30446642 http://dx.doi.org/10.1038/s41467-018-07102-3 Text en © The Author(s) 2018 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 license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license 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 license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Peng, Qing
Meng, Fanjiang
Yang, Yizhong
Lu, Chenyang
Deng, Huiqiu
Wang, Lumin
De, Suvranu
Gao, Fei
Shockwave generates < 100 > dislocation loops in bcc iron
title Shockwave generates < 100 > dislocation loops in bcc iron
title_full Shockwave generates < 100 > dislocation loops in bcc iron
title_fullStr Shockwave generates < 100 > dislocation loops in bcc iron
title_full_unstemmed Shockwave generates < 100 > dislocation loops in bcc iron
title_short Shockwave generates < 100 > dislocation loops in bcc iron
title_sort shockwave generates < 100 > dislocation loops in bcc iron
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6240105/
https://www.ncbi.nlm.nih.gov/pubmed/30446642
http://dx.doi.org/10.1038/s41467-018-07102-3
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