Atomic picture of elastic deformation in a metallic glass

نویسندگان

  • X. D. Wang
  • S. Aryal
  • C. Zhong
  • W. Y. Ching
  • H. W. Sheng
  • H. Zhang
  • D. X. Zhang
  • Q. P. Cao
  • J. Z. Jiang
چکیده

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.

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عنوان ژورنال:

دوره 5  شماره 

صفحات  -

تاریخ انتشار 2015