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Carbon Nanotubes under Bending Strain

Published online by Cambridge University Press:  15 March 2011

M. Huhtala ,
A. Kuronen  and
K. Kaski
M. Huhtala
Affiliation:
Helsinki University of Technology, Laboratory of Computational Engineering P.O.Box 9400, FIN-02015 HUT, FINLAND
A. Kuronen
Affiliation:
Helsinki University of Technology, Laboratory of Computational Engineering P.O.Box 9400, FIN-02015 HUT, FINLAND
K. Kaski
Affiliation:
Helsinki University of Technology, Laboratory of Computational Engineering P.O.Box 9400, FIN-02015 HUT, FINLAND
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Abstract

Bending induced deformations in single walled carbon nanotubes with zigzag and armchair chirality have been studied computationally using a classical molecular dynamics simulation method. In this the interatomic forces have been described with Brenner's empirical model potential. The results given by this classical model have been assessed by letting the most critical, i.e. the most deformed part, of the nanotube further relax by using a dynamical tight binding simulation method. We find that the empirical potential based approach and the tight binding method reproduce similar deformation patterns when the deformation remains relatively small but at higher levels of deformation the results differ significantly. These comparative simulations indicate that graphene interlayer interaction is an important factor in the behavior of deformed nanotubes.

Type
Article
Information
MRS Online Proceedings Library (OPL) , Volume 706: Symposium Z – Making Functional Materials with Nanotubes , 2001 , Z9.8.1
Copyright
Copyright © Materials Research Society 2002

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