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Journal of Nanomaterials
Volume 2015, Article ID 186231, 5 pages
http://dx.doi.org/10.1155/2015/186231
Research Article

Atomic Structure and Energy Distribution of Collapsed Carbon Nanotubes of Different Chiralities

1The Key Laboratory of Metallurgical Equipment and Control of Ministry of Education, Wuhan University of Science and Technology, 947 Heping Avenue, Wuhan 430081, China
2Institute for Metals Superplasticity Problems, Russian Academy of Sciences, Ufa 450001, Russia
3National Research Tomsk State University, 36 Lenin Prospekt, Tomsk 634050, Russia
4Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China
5School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798

Received 10 September 2014; Accepted 17 December 2014

Academic Editor: Nay Ming Huang

Copyright © 2015 Julia A. Baimova et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

For carbon nanotubes of sufficiently large diameter at sufficiently low temperature, due to the action of the van der Waals forces, the ground state is a bilayer graphene with closed edges, the so-called collapsed configuration. Molecular dynamics simulation of collapsed carbon nanotubes is performed. The effect of length, diameter, and chirality of the nanotubes on their properties is investigated. It is shown that collapsed nanotubes after relaxation have rippled structure which is strongly dependent on the nanotube chirality. The structural properties are studied by calculating the radial distribution function and energy distribution along various regions in the collapsed carbon nanotubes.