Journal
JOURNAL OF NON-CRYSTALLINE SOLIDS
Volume 445, Issue -, Pages 61-68Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jnoncrysol.2016.05.002
Keywords
Shear transformation zone; Shear band; Metallic glasses; Molecular dynamics simulations
Funding
- National Key Basic Research Program of China [2012CB825700]
- National Natural Science Foundation of China [51371157, U14321056]
- Natural Science Foundation of Zhejiang Province [Z1110196, Y4110192]
- Fundamental Research Funds for the Central Universities
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The room temperature tensile deformation behavior of two metallic glasses (MGs), Cu64Zr36 and Cu40Zr60, was investigated, by employing molecular dynamics simulations, with a view to examine the evolution of plastic deformation at the atomistic scale. It was found that after reaching the maximum stress, atoms in areas with lower packing efficiency, which have liquid-like polyhedral atomic configurations, exhibit larger displacement. On further deformation, the atoms in rigidly packed regions, which have solid-like polyhedral atomic configurations, also start partaking in the plastic deformation, especially within the shear band region. The average shear transformation zone (STZ) size, defined by the coordination neighborhood of highly strained atoms, was found to increase from 17 +/- 3 to 106 +/- 6 atoms within the strain range of 7-12%, which spans the shear band initiation to mature formation, in both MGs examined. A detailed examination of the distributions of the number and the size of STZs as a function of strain reveals that the formation of the shear band is linked with the occurrence of a few super-sized STZs. (C) 2016 Elsevier B.V. All rights reserved.
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