Atomistic exploration of deformation properties of copper nanowires with pre-existing defects

Zhan, Haifei & Gu, YuanTong (2011) Atomistic exploration of deformation properties of copper nanowires with pre-existing defects. Computer Modeling in Engineering & Sciences, 80(1), pp. 23-56.

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Based on the embedded atom method (EAM) and molecular dynamics (MD) method, in this paper, the tensile deformation properties of Cu nanowires (NWs) with different pre-existing defects, including single surface defects, surface bi-defects and single internal defects, are systematically studied. In-depth deformation mechanisms of NWs with pre-existing defects are also explored. It is found that Young's modulus is insensitive to different pre-existing defects, but yield strength shows an obvious decrease. Defects are observed influencing greatly on NWs' tensile deformation mechanisms, and playing a role of dislocation sources. Besides of the traditional deformation process dominated by the nucleation and propagation of partial dislocations, the generations of twins, grain boundaries, fivefold deformation twins, hexagonal close-packed (HCP) structure and phase transformation from face-centred cubic (FCC) structure to HCP structure have been triggered by pre-existing defects. It is found that surface defect intends to induce larger influence to yield strength than internal defect. Most importantly, the defect that lies on slip planes exerts larger influence than other defects. As expected, it is also found that the more or longer of the defect, the bigger influence will be induced.

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5 citations in Scopus
4 citations in Web of Science®
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ID Code: 47743
Item Type: Journal Article
Refereed: Yes
Additional URLs:
Keywords: nanowire, defect, deformation mechanism, molecular dynamics, tension
DOI: 10.3970/cmes.2011.080.023
ISSN: 1526-1506
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200) > Metals and Alloy Materials (091207)
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: Past > QUT Faculties & Divisions > Faculty of Built Environment and Engineering
Past > Schools > School of Engineering Systems
Copyright Owner: Copyright 2011 Tech Science Press
Deposited On: 15 Dec 2011 02:02
Last Modified: 18 Dec 2011 04:55

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