Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.proeng.2011.07.164
Title: A molecular dynamics investigation of the torsional responses of defective single-walled carbon nanotubes
Authors: Zhang, Y.Y.
Wang, C.M. 
Xiang, Y.
Keywords: Carbon nanotubes
Chirality
Defects
Molecular dynamics simulation
Torsion
Issue Date: 2011
Citation: Zhang, Y.Y., Wang, C.M., Xiang, Y. (2011). A molecular dynamics investigation of the torsional responses of defective single-walled carbon nanotubes. Procedia Engineering 14 : 1307-1311. ScholarBank@NUS Repository. https://doi.org/10.1016/j.proeng.2011.07.164
Abstract: The buckling behavior of defective single-walled carbon nanotubes (CNTs) under torsion is investigated by using molecular dynamics simulations. Various kinds of defects including vacancy defects (monovacancy, bivancancies and line) and topological defects such as Stone-Thrower-Wales (STW) are considered. The effect of initial defects on the torsional properties is closely examined. The simulation results show that the torsional capacity is strongly dependent of the type of defects, chirality and temperature. The reduction in the torsional capacity is greater for CNTs with vacancy defects than CNTs with topological defects. Armchair CNTs have higher shear modulus and critical torques and are less sensitive to the presence of defects when compared to their zigzag counterparts.
Source Title: Procedia Engineering
URI: http://scholarbank.nus.edu.sg/handle/10635/75101
ISSN: 18777058
DOI: 10.1016/j.proeng.2011.07.164
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