Buckling of defective carbon nanotubes

Zhang, Y. Y., Xiang, Y. and Wang, C. M. (2009) Buckling of defective carbon nanotubes. Journal of Applied Physics, 106 11: 621-653. doi:10.1063/1.3261760

Attached Files (Some files may be inaccessible until you login with your UQ eSpace credentials)
Name Description MIMEType Size Downloads
UQ417731_OA.pdf application/pdf 949.81KB 0

Author Zhang, Y. Y.
Xiang, Y.
Wang, C. M.
Title Buckling of defective carbon nanotubes
Journal name Journal of Applied Physics   Check publisher's open access policy
ISSN 0021-8979
Publication date 2009-01-01
Year available 2011
Sub-type Article (original research)
DOI 10.1063/1.3261760
Open Access Status File (Publisher version)
Volume 106
Issue 11
Start page 621
End page 653
Total pages 8
Place of publication Melville, NY, United States
Publisher AIP Publishing
Language eng
Abstract Presented herein is an investigation into the buckling behavior of single-walled carbon nanotubes (SWCNTs) with defects via molecular dynamics (MD) simulations. Various kinds of defects including point defects (monovacancy, bivacancies, and line) and topological defect such as Stone-Wales (SW) are considered. The MD simulations performed on the SWCNTs are based on the reactive empirical bond-order and Lennard-Jones potentials for the bonded and nonbonded interactions, respectively. Different temperatures were considered to explore the thermal effect on the buckling behaviors of defective SWCNTs. It is observed that initial defects in the SWCNTs reduce their buckling capacities. The degree of reduction depends on the type of defects, chirality, and temperature. Point defects cause a greater reduction in buckling loads than SW defect. The degradation of the buckling resistance of carbon nanotubes is greater for zigzag CNTs at lower temperatures. It is also observed that reconstruction of defective SWCNTs can be realized either in a higher thermal environment or with a larger compressive force.
Keyword Carbon nanotubes
Molecular dynamics
Chemical bonds
Q-Index Code C1
Q-Index Status Provisional Code
Grant ID RGS 20731-80699
Institutional Status Non-UQ
Additional Notes Article number 113503

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Civil Engineering Publications
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 28 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 34 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Mon, 16 Jan 2017, 22:46:43 EST by Clare Nelson on behalf of Learning and Research Services (UQ Library)