Atomic picture of elastic deformation in a metallic glass

The tensile behavior of a Ni(60)Nb(40) metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous r...

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Detalles Bibliográficos
Autores principales: Wang, X. D., Aryal, S., Zhong, C., Ching, W. Y., Sheng, H. W., Zhang, H., Zhang, D. X., Cao, Q. P., Jiang, J. Z.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4361865/
https://www.ncbi.nlm.nih.gov/pubmed/25777767
http://dx.doi.org/10.1038/srep09184
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author Wang, X. D.
Aryal, S.
Zhong, C.
Ching, W. Y.
Sheng, H. W.
Zhang, H.
Zhang, D. X.
Cao, Q. P.
Jiang, J. Z.
author_facet Wang, X. D.
Aryal, S.
Zhong, C.
Ching, W. Y.
Sheng, H. W.
Zhang, H.
Zhang, D. X.
Cao, Q. P.
Jiang, J. Z.
author_sort Wang, X. D.
collection PubMed
description The tensile behavior of a Ni(60)Nb(40) metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples, mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.
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spelling pubmed-43618652015-03-19 Atomic picture of elastic deformation in a metallic glass Wang, X. D. Aryal, S. Zhong, C. Ching, W. Y. Sheng, H. W. Zhang, H. Zhang, D. X. Cao, Q. P. Jiang, J. Z. Sci Rep Article The tensile behavior of a Ni(60)Nb(40) metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples, mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities. Nature Publishing Group 2015-03-17 /pmc/articles/PMC4361865/ /pubmed/25777767 http://dx.doi.org/10.1038/srep09184 Text en Copyright © 2015, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Wang, X. D.
Aryal, S.
Zhong, C.
Ching, W. Y.
Sheng, H. W.
Zhang, H.
Zhang, D. X.
Cao, Q. P.
Jiang, J. Z.
Atomic picture of elastic deformation in a metallic glass
title Atomic picture of elastic deformation in a metallic glass
title_full Atomic picture of elastic deformation in a metallic glass
title_fullStr Atomic picture of elastic deformation in a metallic glass
title_full_unstemmed Atomic picture of elastic deformation in a metallic glass
title_short Atomic picture of elastic deformation in a metallic glass
title_sort atomic picture of elastic deformation in a metallic glass
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4361865/
https://www.ncbi.nlm.nih.gov/pubmed/25777767
http://dx.doi.org/10.1038/srep09184
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