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MD investigations for mechanical properties of copper nanowires with and without surface defects

Gu, YuanTong & Zhan, Haifei (2012) MD investigations for mechanical properties of copper nanowires with and without surface defects. International Journal of Computational Methods, 9(1), pp. 1-8.

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Abstract

Based on the molecular dynamics (MD) method, the single-crystalline copper nanowire with different surface defects is investigated through tension simulation. For comparison, the MD tension simulations of perfect nanowire are firstly carried out under different temperatures, strain rates, and sizes. It has concluded that the surface-volume ratio significantly affects the mechanical properties of nanowire. The surface defects on nanowires are then systematically studied in considering different defect orientation and distribution. It is found that the Young’s modulus is insensitive of surface defects. However, the yield strength and yield point show a significant decrease due to the different defects. Different defects are observed to serve as a dislocation source.

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2 citations in Scopus
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1 citations in Web of Science®

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210 since deposited on 02 May 2012
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ID Code: 50057
Item Type: Journal Article
Additional URLs:
Keywords: nanowire, copper, defect, molecular dynamics, tension
DOI: 10.1142/S0219876212400038
ISSN: 0219-8762
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)
Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700) > Nanoscale Characterisation (100712)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 02 May 2012 14:22
Last Modified: 09 May 2012 21:41

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