Atomic picture of elastic deformation in a metallic glass

Scientific Reports
X D WangJ Z Jiang

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.

References

Feb 15, 1987·Physical Review. B, Condensed Matter·Y SuzukiT Egami
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Nov 1, 2002·Nature·Yinmin WangEn Ma
Oct 10, 2006·Physical Review Letters·F LéonforteJ-L Barrat
Dec 3, 2008·The Journal of Chemical Physics·Wolfgang Lechner, Christoph Dellago
Oct 2, 2009·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Michel TsamadosJean-Louis Barrat
Jan 15, 2011·Physical Review Letters·W DmowskiT Egami
May 24, 2011·Nature Materials·Hannes WagnerKonrad Samwer
Jan 5, 2012·Nature Communications·Lin TianEvan Ma
Nov 16, 2012·Scientific Reports·Q K JiangJ Z Jiang

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Methods Mentioned

BETA
x-ray diffraction

Software Mentioned

LAMMPS
VASP
Vienna ab initio Simulation Package ( VASP )

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