Atomic picture of elastic deformation in a metallic glass
Abstract
The tensile behavior of a Ni₆₀Nb₄₀ 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.
- Authors:
-
- Zhejiang Univ., Hangzhou (People's Republic of China)
- Univ. of Missouri-Kansas City, Kansas City, MO (United States)
- George Mason Univ., Fairfax, VA (United States)
- Univ. of Alberta, Edmonton, AB (Canada)
- Publication Date:
- Research Org.:
- University of Missouri-Kansas City, Kansas City, MO (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1191998
- Grant/Contract Number:
- FE0004007
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 5; Journal Issue: 3; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS
Citation Formats
Wang, X. D., Aryal, S., Zhong, C., Ching, W. Y., Sheng, H. W., Zhang, H., Zhang, D. X., Cao, Q. P., and Jiang, J. Z. Atomic picture of elastic deformation in a metallic glass. United States: N. p., 2015.
Web. doi:10.1038/srep09184.
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. United States. https://doi.org/10.1038/srep09184
Wang, X. D., Aryal, S., Zhong, C., Ching, W. Y., Sheng, H. W., Zhang, H., Zhang, D. X., Cao, Q. P., and Jiang, J. Z. Tue .
"Atomic picture of elastic deformation in a metallic glass". United States. https://doi.org/10.1038/srep09184. https://www.osti.gov/servlets/purl/1191998.
@article{osti_1191998,
title = {Atomic picture of elastic deformation in a metallic glass},
author = {Wang, X. D. and Aryal, S. and Zhong, C. and Ching, W. Y. and Sheng, H. W. and Zhang, H. and Zhang, D. X. and Cao, Q. P. and Jiang, J. Z.},
abstractNote = {The tensile behavior of a Ni₆₀Nb₄₀ 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.},
doi = {10.1038/srep09184},
journal = {Scientific Reports},
number = 3,
volume = 5,
place = {United States},
year = {Tue Mar 17 00:00:00 EDT 2015},
month = {Tue Mar 17 00:00:00 EDT 2015}
}
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