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Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal
This paper presents a molecular dynamics study of how the localization and transfer of excess atomic volume by structural defects affects the evolution and self-healing of nanosized cracks in bcc iron single crystals under different mechanical loading conditions at room temperature. It is shown that...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8538751/ https://www.ncbi.nlm.nih.gov/pubmed/34683719 http://dx.doi.org/10.3390/ma14206124 |
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author | Kryzhevich, Dmitrij S. Korchuganov, Aleksandr V. Zolnikov, Konstantin P. |
author_facet | Kryzhevich, Dmitrij S. Korchuganov, Aleksandr V. Zolnikov, Konstantin P. |
author_sort | Kryzhevich, Dmitrij S. |
collection | PubMed |
description | This paper presents a molecular dynamics study of how the localization and transfer of excess atomic volume by structural defects affects the evolution and self-healing of nanosized cracks in bcc iron single crystals under different mechanical loading conditions at room temperature. It is shown that deformation is initially accompanied by a local growth of the atomic volume at the crack tips. The crack growth behavior depends on whether the excess atomic volume can be transferred by structural defects from the crack tips to the free surface or other interfaces. If an edge crack is oriented with respect to the loading direction so that dislocations are not emitted from its tip or only twins are emitted, then the sample undergoes a brittle-ductile fracture. The transfer of the excess atomic volume by dislocations from the crack tips prevents the opening of edge cracks and is an effective healing mechanism for nanocracks in a mechanically loaded material. |
format | Online Article Text |
id | pubmed-8538751 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-85387512021-10-24 Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal Kryzhevich, Dmitrij S. Korchuganov, Aleksandr V. Zolnikov, Konstantin P. Materials (Basel) Article This paper presents a molecular dynamics study of how the localization and transfer of excess atomic volume by structural defects affects the evolution and self-healing of nanosized cracks in bcc iron single crystals under different mechanical loading conditions at room temperature. It is shown that deformation is initially accompanied by a local growth of the atomic volume at the crack tips. The crack growth behavior depends on whether the excess atomic volume can be transferred by structural defects from the crack tips to the free surface or other interfaces. If an edge crack is oriented with respect to the loading direction so that dislocations are not emitted from its tip or only twins are emitted, then the sample undergoes a brittle-ductile fracture. The transfer of the excess atomic volume by dislocations from the crack tips prevents the opening of edge cracks and is an effective healing mechanism for nanocracks in a mechanically loaded material. MDPI 2021-10-15 /pmc/articles/PMC8538751/ /pubmed/34683719 http://dx.doi.org/10.3390/ma14206124 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Kryzhevich, Dmitrij S. Korchuganov, Aleksandr V. Zolnikov, Konstantin P. Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal |
title | Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal |
title_full | Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal |
title_fullStr | Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal |
title_full_unstemmed | Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal |
title_short | Effect of Excess Atomic Volume on Crack Evolution in a Deformed Iron Single Crystal |
title_sort | effect of excess atomic volume on crack evolution in a deformed iron single crystal |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8538751/ https://www.ncbi.nlm.nih.gov/pubmed/34683719 http://dx.doi.org/10.3390/ma14206124 |
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