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Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses
Unlike crystalline metals, the plastic deformation of metallic glasses (MGs) involves a competition between disordering and structural relaxation ordering, which is not well understood, yet. Molecular dynamics (MD) simulations were performed to investigate the evolutions of strain localizations, sho...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5041185/ https://www.ncbi.nlm.nih.gov/pubmed/27681052 http://dx.doi.org/10.1038/srep34340 |
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author | Peng, Chuan-Xiao Song, Kai-Kai Wang, Li Şopu, Daniel Pauly, Simon Eckert, Jürgen |
author_facet | Peng, Chuan-Xiao Song, Kai-Kai Wang, Li Şopu, Daniel Pauly, Simon Eckert, Jürgen |
author_sort | Peng, Chuan-Xiao |
collection | PubMed |
description | Unlike crystalline metals, the plastic deformation of metallic glasses (MGs) involves a competition between disordering and structural relaxation ordering, which is not well understood, yet. Molecular dynamics (MD) simulations were performed to investigate the evolutions of strain localizations, short-range order (SRO) as well as the free volume in the glass during compressive deformation of Fe(50)Cu(50) MGs with different degrees of phase separation. Our findings indicate that the free volume in the phase separating MGs decreases while the shear strain localizations increase with increasing degree of phase separation. Cu-centered clusters show higher potential energies and Voronoi volumes, and bear larger local shear strains. On the other hand, Fe-centered pentagon-rich clusters in Cu-rich regions seem to play an important role to resist the shear transformation. The dilatation or annihilation of Voronoi volumes is due to the competition between ordering via structural relaxation and shear stress-induced deformation. The present study could provide a better understanding of the relationship between the structural inhomogeneity and the deformation of MGs. |
format | Online Article Text |
id | pubmed-5041185 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
spelling | pubmed-50411852016-09-30 Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses Peng, Chuan-Xiao Song, Kai-Kai Wang, Li Şopu, Daniel Pauly, Simon Eckert, Jürgen Sci Rep Article Unlike crystalline metals, the plastic deformation of metallic glasses (MGs) involves a competition between disordering and structural relaxation ordering, which is not well understood, yet. Molecular dynamics (MD) simulations were performed to investigate the evolutions of strain localizations, short-range order (SRO) as well as the free volume in the glass during compressive deformation of Fe(50)Cu(50) MGs with different degrees of phase separation. Our findings indicate that the free volume in the phase separating MGs decreases while the shear strain localizations increase with increasing degree of phase separation. Cu-centered clusters show higher potential energies and Voronoi volumes, and bear larger local shear strains. On the other hand, Fe-centered pentagon-rich clusters in Cu-rich regions seem to play an important role to resist the shear transformation. The dilatation or annihilation of Voronoi volumes is due to the competition between ordering via structural relaxation and shear stress-induced deformation. The present study could provide a better understanding of the relationship between the structural inhomogeneity and the deformation of MGs. Nature Publishing Group 2016-09-29 /pmc/articles/PMC5041185/ /pubmed/27681052 http://dx.doi.org/10.1038/srep34340 Text en Copyright © 2016, The Author(s) 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 to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Article Peng, Chuan-Xiao Song, Kai-Kai Wang, Li Şopu, Daniel Pauly, Simon Eckert, Jürgen Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses |
title | Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses |
title_full | Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses |
title_fullStr | Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses |
title_full_unstemmed | Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses |
title_short | Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses |
title_sort | correlation between structural heterogeneity and plastic deformation for phase separating fecu metallic glasses |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5041185/ https://www.ncbi.nlm.nih.gov/pubmed/27681052 http://dx.doi.org/10.1038/srep34340 |
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