Bending properties of Ag nanowires with pre-existing surface defects

Zhan, Haifei, Gu, YuanTong, Yan, Cheng, & Yarlagadda, Prasad K. (2014) Bending properties of Ag nanowires with pre-existing surface defects. Computational Materials Science, 81, pp. 45-51.

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Materials used in the engineering always contain imperfections or defects which significantly affect their performances. Based on the large-scale molecular dynamics simulation and the Euler–Bernoulli beam theory, the influence from different pre-existing surface defects on the bending properties of Ag nanowires (NWs) is studied in this paper. It is found that the nonlinear-elastic deformation, as well as the flexural rigidity of the NW is insensitive to different surface defects for the studied defects in this paper. On the contrary, an evident decrease of the yield strength is observed due to the existence of defects. In-depth inspection of the deformation process reveals that, at the onset of plastic deformation, dislocation embryos initiate from the locations of surface defects, and the plastic deformation is dominated by the nucleation and propagation of partial dislocations under the considered temperature. Particularly, the generation of stair-rod partial dislocations and Lomer–Cottrell lock are normally observed for both perfect and defected NWs. The generation of these structures has thwarted attempts of the NW to an early yielding, which leads to the phenomenon that more defects does not necessarily mean a lower critical force.

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5 citations in Scopus
3 citations in Web of Science®
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ID Code: 63096
Item Type: Journal Article
Refereed: Yes
Keywords: Surface defect, Bending, Nanowire, Beam theory, Molecular dynamics
DOI: 10.1016/j.commatsci.2013.05.032
ISSN: 0927-0256
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200) > Functional Materials (091205)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700) > Nanomaterials (100708)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2013 Elsevier B.V.
Copyright Statement: This is the author’s version of a work that was accepted for publication in Computational Materials Science. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Computational Materials Science, [Volume 81, (January 2014)] DOI: 10.1016/j.commatsci.2013.05.032
Deposited On: 04 Oct 2013 00:04
Last Modified: 01 Jan 2016 21:08

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