Please use this identifier to cite or link to this item: https://physrep.ff.bg.ac.rs/handle/123456789/49
Title: Mechanical coupling in homogeneously deformed single-wall carbon nanotubes
Authors: Dmitrović, Saša 
Vuković, Tatjana 
Popović, Zoran 
Milošević, Ivanka 
Damnjanović, M. 
Issue Date: 10-Apr-2013
Journal: Journal of Physics Condensed Matter
Abstract: 
We developed a full symmetry implementing method, based on classical molecular dynamics with the Brenner-Tersoff potential, for determining the optimal configuration of homogeneously deformed infinitely long single-wall carbon nanotubes. All nanotubes with diameter less than 1.3 nm are studied. Systematic analysis of the coupling between different types of deformation shows that, in the tubes with chiral angle close to zero and 30°, the torsion-induced circumferential strain is opposite to the induced axial strain. Also, torsion in zigzag tubes induces larger circumferential strain, but in armchair tubes it yields a larger axial strain. The influence of diameter on axial-stretching-induced torsion becomes significant only for narrow tubes. Finally, significant deviation from the linear dependence of axial-strain-induced radial deformation is found for zigzag tubes. The presented results are important for the calculation of electro-optical properties of nanotubes under strain. © 2013 IOP Publishing Ltd.
URI: https://physrep.ff.bg.ac.rs/handle/123456789/49
ISSN: 0953-8984
DOI: 10.1088/0953-8984/25/14/145301
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