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Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts
Body-centered-cubic (bcc) transition metals, such as [Formula: see text] -Fe and W, cleave along the {100} plane, even though the surface energy is the lowest along the {110} plane. To unravel the mechanism of this odd response, large-scale atomistic simulations of curved cleavage cracks of [Formula...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9668986/ https://www.ncbi.nlm.nih.gov/pubmed/36385636 http://dx.doi.org/10.1038/s41598-022-24357-5 |
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author | Suzudo, Tomoaki Ebihara, Ken-ichi Tsuru, Tomohito Mori, Hideki |
author_facet | Suzudo, Tomoaki Ebihara, Ken-ichi Tsuru, Tomohito Mori, Hideki |
author_sort | Suzudo, Tomoaki |
collection | PubMed |
description | Body-centered-cubic (bcc) transition metals, such as [Formula: see text] -Fe and W, cleave along the {100} plane, even though the surface energy is the lowest along the {110} plane. To unravel the mechanism of this odd response, large-scale atomistic simulations of curved cleavage cracks of [Formula: see text] -Fe were conducted in association with stress intensity factor analyses of straight crack fronts using an interatomic potential created by an artificial neural network technique. The study provides novel findings: Dislocations are emitted from the crack fronts along the {110} cleavage plane, and this phenomenon explains why the {100} plane can be the cleavage plane. However, the simple straight crack-front analyses did not yield the same conclusion. It is suggested that atomistic modeling, at sufficiently large scales to capture the inherent complexities of materials using highly accurate potentials, is necessary to correctly predict the mechanical strength. The method adopted in this study is generally applicable to the cleavage problem of bcc transition metals and alloys. |
format | Online Article Text |
id | pubmed-9668986 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-96689862022-11-18 Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts Suzudo, Tomoaki Ebihara, Ken-ichi Tsuru, Tomohito Mori, Hideki Sci Rep Article Body-centered-cubic (bcc) transition metals, such as [Formula: see text] -Fe and W, cleave along the {100} plane, even though the surface energy is the lowest along the {110} plane. To unravel the mechanism of this odd response, large-scale atomistic simulations of curved cleavage cracks of [Formula: see text] -Fe were conducted in association with stress intensity factor analyses of straight crack fronts using an interatomic potential created by an artificial neural network technique. The study provides novel findings: Dislocations are emitted from the crack fronts along the {110} cleavage plane, and this phenomenon explains why the {100} plane can be the cleavage plane. However, the simple straight crack-front analyses did not yield the same conclusion. It is suggested that atomistic modeling, at sufficiently large scales to capture the inherent complexities of materials using highly accurate potentials, is necessary to correctly predict the mechanical strength. The method adopted in this study is generally applicable to the cleavage problem of bcc transition metals and alloys. Nature Publishing Group UK 2022-11-16 /pmc/articles/PMC9668986/ /pubmed/36385636 http://dx.doi.org/10.1038/s41598-022-24357-5 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis 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 Suzudo, Tomoaki Ebihara, Ken-ichi Tsuru, Tomohito Mori, Hideki Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts |
title | Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts |
title_full | Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts |
title_fullStr | Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts |
title_full_unstemmed | Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts |
title_short | Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts |
title_sort | cleavages along {110} in bcc iron emit dislocations from the curved crack fronts |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9668986/ https://www.ncbi.nlm.nih.gov/pubmed/36385636 http://dx.doi.org/10.1038/s41598-022-24357-5 |
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