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Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study

The interactions of an edge dislocation (ED) with collision cascades induced by 5 keV primary knocked-on atoms (PKAs) towards the ED in bcc Fe are studied using classical molecular dynamics (MD) simulations. It is found that the number and distribution of the residual point defects are related to th...

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Autores principales: Wang, Hao, Tian, Ji-Ting, Zhou, Wei, Chen, Xiao-Fei, Bai, Bin, Xue, Jian-Ming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9079903/
https://www.ncbi.nlm.nih.gov/pubmed/35539347
http://dx.doi.org/10.1039/c8ra00141c
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author Wang, Hao
Tian, Ji-Ting
Zhou, Wei
Chen, Xiao-Fei
Bai, Bin
Xue, Jian-Ming
author_facet Wang, Hao
Tian, Ji-Ting
Zhou, Wei
Chen, Xiao-Fei
Bai, Bin
Xue, Jian-Ming
author_sort Wang, Hao
collection PubMed
description The interactions of an edge dislocation (ED) with collision cascades induced by 5 keV primary knocked-on atoms (PKAs) towards the ED in bcc Fe are studied using classical molecular dynamics (MD) simulations. It is found that the number and distribution of the residual point defects are related to the distance between the initial PKAs and the ED. Based on this result, we provide a comprehensive summary of four characteristic phenomena for cascade–ED interactions, including few interactions, the formation of a vacancy cluster, the sink effect for point defects, and the sub-cascade area affection, depending on the overlap of the peak cascades' area with the ED line. Then a qualitative model is proposed to clearly elucidate the underlying mechanisms of the four situations. Considering that dislocations constitute an essential part of the micro-structure of crystalline solids, our work demonstrates that: the pre-existing dislocations in crystalline materials could induce diverse effects under irradiation environments, which should be taken into account for designing and improving the radiation resistant materials.
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spelling pubmed-90799032022-05-09 Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study Wang, Hao Tian, Ji-Ting Zhou, Wei Chen, Xiao-Fei Bai, Bin Xue, Jian-Ming RSC Adv Chemistry The interactions of an edge dislocation (ED) with collision cascades induced by 5 keV primary knocked-on atoms (PKAs) towards the ED in bcc Fe are studied using classical molecular dynamics (MD) simulations. It is found that the number and distribution of the residual point defects are related to the distance between the initial PKAs and the ED. Based on this result, we provide a comprehensive summary of four characteristic phenomena for cascade–ED interactions, including few interactions, the formation of a vacancy cluster, the sink effect for point defects, and the sub-cascade area affection, depending on the overlap of the peak cascades' area with the ED line. Then a qualitative model is proposed to clearly elucidate the underlying mechanisms of the four situations. Considering that dislocations constitute an essential part of the micro-structure of crystalline solids, our work demonstrates that: the pre-existing dislocations in crystalline materials could induce diverse effects under irradiation environments, which should be taken into account for designing and improving the radiation resistant materials. The Royal Society of Chemistry 2018-04-16 /pmc/articles/PMC9079903/ /pubmed/35539347 http://dx.doi.org/10.1039/c8ra00141c Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Wang, Hao
Tian, Ji-Ting
Zhou, Wei
Chen, Xiao-Fei
Bai, Bin
Xue, Jian-Ming
Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study
title Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study
title_full Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study
title_fullStr Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study
title_full_unstemmed Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study
title_short Collision cascades interact with an edge dislocation in bcc Fe: a molecular dynamics study
title_sort collision cascades interact with an edge dislocation in bcc fe: a molecular dynamics study
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9079903/
https://www.ncbi.nlm.nih.gov/pubmed/35539347
http://dx.doi.org/10.1039/c8ra00141c
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