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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/5399
Title: A molecular mechanics approach for the vibration of single-walled carbon nanotubes
Authors: Chowdhury, Rajib
Adhikari S.
Wang C.Y.
Scarpa F.
Published in: Computational Materials Science
Abstract: We investigate the vibrational properties of zigzag and armchair single-wall carbon nanotubes (CNTs) using the molecular mechanics approach. The natural frequencies of vibration and their associated intrinsic vibration modes are obtained. The simulations are carried out for four types of zigzag nanotubes (5, 0), (6, 0), (8, 0), (10, 0) and three types of armchair nanotubes (3, 3), (4, 4), (6, 6). The universal force field potential is used for the molecular mechanics approach. The first five natural frequencies are obtained for aspect ratios ranging from 5 to 20. The results indicate that the natural frequencies decrease as the aspect ratios increase. The results follow similar trends with results of previous studies for CNTs using structural mechanics approach. ¬© 2010 Elsevier B.V. All rights reserved.
Citation: Computational Materials Science(2010), 48(4): 730-735
URI: https://doi.org/10.1016/j.commatsci.2010.03.020
http://repository.iitr.ac.in/handle/123456789/5399
Issue Date: 2010
Keywords: Carbon nanotube
Mode shape
Molecular mechanics
Natural frequency
Vibrational analysis
ISSN: 9270256
Author Scopus IDs: 10046255200
24436440900
8416533100
24484008800
Author Affiliations: Chowdhury, R., Multidisciplinary Nanotechnology Centre, Swansea University, Singleton Park, Swansea SA2 8PP, United Kingdom
Adhikari, S., Multidisciplinary Nanotechnology Centre, Swansea University, Singleton Park, Swansea SA2 8PP, United Kingdom
Wang, C.Y., Multidisciplinary Nanotechnology Centre, Swansea University, Singleton Park, Swansea SA2 8PP, United Kingdom
Scarpa, F., Advanced Composites Centre for Innovation and Science, University of Bristol, Bristol BS8 1TR, United Kingdom
Corresponding Author: Chowdhury, R.; Multidisciplinary Nanotechnology Centre, Swansea University, Singleton Park, Swansea SA2 8PP, United Kingdom; email: R.Chowdhury@swansea.ac.uk
Appears in Collections:Journal Publications [CE]

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