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Title: Atomic picture of elastic deformation in a metallic glass

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:
OSTI Identifier:
1191998
Grant/Contract Number:
FE0004007
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
Research Org:
University of Missouri-Kansas City, Kansas City, MO (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS