Size Dependent Transition of Deformation Mode in Gold Nanowire: A Molecular Dynamics

Inspired by recent experimental results [1] for the deformation behavior of Au nanowire with the diameter of ~100 nm, we have conducted the molecular dynamics (MD) simulations for the deformation of singlecrystalline /{111} Au nanowires with various diameters under tensile loading. Our MD results de...

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Bibliographic Details
Published in:AIP conference proceedings 2012-03
Main Authors: Cha, Pil Ryung, Park, Na-Young, Nam, Ho-Seok, Lee, Seung-Cheol
Format: Article
Language:English
Subjects:
Deformation
Gold
Molecular dynamics
Nanocomposites
Nanomaterials
Nanowires
Position (location)
Slip
Online Access:Get full text
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Summary:Inspired by recent experimental results [1] for the deformation behavior of Au nanowire with the diameter of ~100 nm, we have conducted the molecular dynamics (MD) simulations for the deformation of singlecrystalline /{111} Au nanowires with various diameters under tensile loading. Our MD results demonstrate size-dependent transition of the deformation mode from fracture by the localization of slip to transformation to /{100} nanowire by twin propagation unlike previous MD researches which have shown the tensile deformation by the localization of slip in Au nanowire. The transition arises from the competition between irreversible slip behavior and pseudo-elasticity represented by twin propagation. Below a critical size, /{111} nanowires showed irreversible behavior by slip localized in the transformed region as soon as a twin region (transformed /{100} wire) formed, which was caused by the yield stress of the transformed /{100} region lower than the flow stress associated with twin propagation.
ISSN:0094-243X