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Normal modes of carbon nanotubes: similarities and differences with their continuum counterpart

Fernandez, I.R., Fangohr, H. and Bhaskar, A. (2006) Normal modes of carbon nanotubes: similarities and differences with their continuum counterpart Journal of Physics: Conference Series, (26), pp. 131-134. (doi:10.1088/1742-6596/26/1/031).

Record type: Article


Carbon nanotubes (CNTs) possess a range of unusually interesting and useful physicochemical properties. In this paper, the mechanical properties of single wall CNTs are investigated via free vibration normal modes using molecular mechanics models. The forcefield used is empirical and the usual assumptions of potential energy contributions coming from bondstretching, bond angle bending, and bond twisting for two, three, and four atom interactions respectively, are made. The validity of continuum behaviour is examined by comparing the modal spacing obtained from the molecular mechanics models and that obtained from classical continuum elastodynamics. The breakdown of continuum behaviour is systematically characterised for various combinations of length to diameter ratio as well as for the number of atoms per circumference.

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Published date: 2006


Local EPrints ID: 23909
ISSN: 1742-6588
PURE UUID: 0077f6f7-642e-4b42-8afb-29dc1acfa875

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Date deposited: 16 Mar 2006
Last modified: 17 Jul 2017 16:15

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Author: I.R. Fernandez
Author: H. Fangohr
Author: A. Bhaskar

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