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Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses

It is known that deformation in disordered materials such as metallic glasses and supercooled liquids occurs via the cooperative rearrangement of atoms or constituent particles at dynamical heterogeneities, commonly regarded as point-like defects. We show via molecular-dynamics simulations that ther...

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Autores principales: Lieou, Charles K. C., Egami, Takeshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10520023/
https://www.ncbi.nlm.nih.gov/pubmed/37749128
http://dx.doi.org/10.1038/s41598-023-42685-y
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author Lieou, Charles K. C.
Egami, Takeshi
author_facet Lieou, Charles K. C.
Egami, Takeshi
author_sort Lieou, Charles K. C.
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description It is known that deformation in disordered materials such as metallic glasses and supercooled liquids occurs via the cooperative rearrangement of atoms or constituent particles at dynamical heterogeneities, commonly regarded as point-like defects. We show via molecular-dynamics simulations that there is no apparent relationship between atomic rearrangements and the local atomic environment as measured by the atomic-level stresses, kinetic and potential energies, and the per-atom Voronoi volume. In addition, there is only a weak correlation between atomic rearrangements and the largest and smallest eigenvalues of the dynamical matrix. Our results confirm the transient nature of dynamical heterogeneities and suggest that the notion of defects may be less relevant than that of a propensity for rearrangement.
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spelling pubmed-105200232023-09-27 Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses Lieou, Charles K. C. Egami, Takeshi Sci Rep Article It is known that deformation in disordered materials such as metallic glasses and supercooled liquids occurs via the cooperative rearrangement of atoms or constituent particles at dynamical heterogeneities, commonly regarded as point-like defects. We show via molecular-dynamics simulations that there is no apparent relationship between atomic rearrangements and the local atomic environment as measured by the atomic-level stresses, kinetic and potential energies, and the per-atom Voronoi volume. In addition, there is only a weak correlation between atomic rearrangements and the largest and smallest eigenvalues of the dynamical matrix. Our results confirm the transient nature of dynamical heterogeneities and suggest that the notion of defects may be less relevant than that of a propensity for rearrangement. Nature Publishing Group UK 2023-09-25 /pmc/articles/PMC10520023/ /pubmed/37749128 http://dx.doi.org/10.1038/s41598-023-42685-y Text en © The Author(s) 2023 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
Lieou, Charles K. C.
Egami, Takeshi
Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses
title Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses
title_full Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses
title_fullStr Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses
title_full_unstemmed Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses
title_short Relevance of structural defects to the mechanism of mechanical deformation in metallic glasses
title_sort relevance of structural defects to the mechanism of mechanical deformation in metallic glasses
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10520023/
https://www.ncbi.nlm.nih.gov/pubmed/37749128
http://dx.doi.org/10.1038/s41598-023-42685-y
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