Research Paper

Modeling the Instability of Carbon Nanotubes: From Continuum Mechanics to Molecular Dynamics

[+] Author and Article Information
Wen Hui Duan

Department of Civil Engineering, Monash University, Clayton, VIC 3168, Australia

Qing Wang

 Dalian Sanatorium of Shenyang Military Region, Liaoning 116013, China

Quan Wang1

Department of Mechanical and Manufacturing Engineering, University of Manitoba, Winnipeg, MB, R3T 5V6, Canadaq_wang@umanitoba.ca

Kim Meow Liew

Department of Building and Construction, City University of Hong Kong, Hong Kong, China


Corresponding author.

J. Nanotechnol. Eng. Med 1(1), 011001 (Sep 15, 2009) (10 pages) doi:10.1115/1.3212820 History: Received February 25, 2009; Revised May 11, 2009; Published September 15, 2009

A hybrid continuum mechanics and molecular mechanics model is developed in this paper to predict the critical strain, stress, and buckling load of the inelastic buckling of carbon nanotubes. With the proposed model, the beamlike and shell-like buckling behavior of carbon nanotubes can be analyzed in a unified approach. The buckling solutions from the hybrid model are verified from molecular dynamics simulations via the MATERIALS STUDIO software package and from available research findings. The existence of the optimum diameter, at which the buckling load reaches its maximum, and the correlation of the diameter with the length of carbon nanotubes, as predicted by Liew (2004, “Nanomechanics of Single and Multiwalled Carbon Nanotubes,” Phys. Rev. B, 69(11), pp. 115429), are uncovered by the hybrid model. The simplicity and effectiveness of the proposed model are not only able to reveal the chiral and size-dependent buckling solutions for carbon nanotubes, but also enable a thorough understanding of the stability behavior of carbon nanotubes in potential applications.

Copyright © 2010 by American Society of Mechanical Engineers
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Figure 3

Criterion line to differentiate buckling patterns of CNTs

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Figure 4

Critical strains εcr versus L/D ratio of length to diameter for (6, 3) CNT

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Figure 5

Size-dependent critical strain with beamlike pattern

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Figure 1

The (n,m) CNT naming scheme and geometry of (6, 3) CNT (a) honeycomb crystal lattice of grapheme, (b) front elevation, and (c) plan

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Figure 2

Strain energy of (6, 3) CNT with length-to-diameter ratio L/d=7.09 under axial compression

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Figure 6

Chirality-dependent buckling load with beamlike pattern

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Figure 7

Chirality- and size-dependent buckling load with shell-like pattern

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Figure 8

Optimum diameter and length of (n,1) CNTs for buckling load



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