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Title: 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:
 [1];  [2];  [1];  [2];  [3];  [4];  [1];  [1];  [1]
  1. Zhejiang Univ., Hangzhou (People's Republic of China)
  2. Univ. of Missouri-Kansas City, Kansas City, MO (United States)
  3. George Mason Univ., Fairfax, VA (United States)
  4. 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:
Journal Article: 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. 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., and Jiang, J. Z. Tue . "Atomic picture of elastic deformation in a metallic glass". United States. doi: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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Cited by: 8 works
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Works referenced in this record:

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996