Nanomechanics of single and multiwalled carbon nanotubes

Liew, K. M.; Wong, Chee How; He, X. Q.; Tan, Ming Jen; Meguid, S. A.

doi:10.1103/physrevb.69.115429

Cited by 314 publications

(201 citation statements)

References 22 publications

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“…The revised REBO realistically describes the properties of molecular and solidstate carbon materials, including bond energy, bond lengths, and lattice constant. 15 Hitherto the REBO potential has been widely used in the analysis of CNTs 18,[22][23][24][25][26][27][28][29][30][31] and has been proved to furnish reliable results when compared to the more accurate but computationally expensive tight-binding 32,33 or ab initio DFT methods. 34,35 In the MD simulations, the fifth-order Gear's predictorcorrector integration scheme is employed with a time step size of 1 fs.…”

Section: Computational Modelmentioning

confidence: 99%

Buckling of defective carbon nanotubes

Zhang

Xiang

Wang

2009

Journal of Applied Physics

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Presented herein is an investigation into the buckling behavior of single-walled carbon nanotubes ͑SWCNTs͒ with defects via molecular dynamics ͑MD͒ simulations. Various kinds of defects including point defects ͑monovacancy, bivacancies, and line͒ and topological defect such as StoneWales ͑SW͒ are considered. The MD simulations performed on the SWCNTs are based on the reactive empirical bond-order and Lennard-Jones potentials for the bonded and nonbonded interactions, respectively. Different temperatures were considered to explore the thermal effect on the buckling behaviors of defective SWCNTs. It is observed that initial defects in the SWCNTs reduce their buckling capacities. The degree of reduction depends on the type of defects, chirality, and temperature. Point defects cause a greater reduction in buckling loads than SW defect. The degradation of the buckling resistance of carbon nanotubes is greater for zigzag CNTs at lower temperatures. It is also observed that reconstruction of defective SWCNTs can be realized either in a higher thermal environment or with a larger compressive force.

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Section: Computational Modelmentioning

confidence: 99%

Buckling of defective carbon nanotubes

Zhang

Xiang

Wang

2009

Journal of Applied Physics

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“…These include the atomistic-based continuum theory [1][2][3] for the mechanical properties of CNTs, the Euler-Bernoulli beam theory [4][5][6] for the bending and the critical buckling load, elastic cylindrical shell models [6][7][8] for the axial compression buckling and torsional buckling, space truss/frame models 9,10 for the Young's and shear moduli and the equivalent wall thickness, and the finite element technique, [11][12][13] which links the conventional finite element method with the atomistic-based potential for the bending and axial compression of CNTs. The results that have been obtained from these continuum models show a good agreement with experimental results or molecular dynamics simulations of single-walled carbon nanotubes ͑SWNTs͒, which indicates that with the suitable modification, conventional continuum mechanics can obtain results that are as accurate as molecular-dynamics simulation, but that are much more efficient, especially for large-scale simulations.…”

Section: Introductionmentioning

confidence: 99%

Continuum model for the vibration of multilayered graphene sheets

2005

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The vibration analysis of multilayered graphene sheets ͑MLGSs͒ using a continuum model is reported in this paper. An explicit formula is derived to predict the van der Waals ͑vdW͒ interaction between any two sheets of a MLGS. Based on the derived formula, a continuum-plate model is developed for the vibration of MLGSs. Our investigation indicates that the lowest natural frequency ͑classical natural frequency͒ of a MLGS for a given combination of m and n is independent of the vdW interaction, but that all of the other higher natural frequencies ͑resonant frequencies͒ are significantly dependent on this interaction. The mode shapes that are associated with the natural frequencies are investigated for double-layered and ten-layered graphene sheets. We find that the vibration modes that are associated with the classical natural frequency of all the sheets are in the same direction and have the same amplitude, whereas the vibration modes of the sheets that are associated with the resonant frequencies are different due to the influence of the vdW interaction. Thus various resonance modes can be obtained by varying the number of layers of a MLGS.

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“…We noted that Liew et al 5 obtained the critical axial strain cr = 0.0482 for a triple-walled CNT with chiral index ͑5, 5͒, ͑10, 10͒, and ͑15, 15͒ by using the MD simulation and Yakobson et al 2 obtained the critical axial strain cr = 0.05 for a single-walled CNT of radius R = 0.475 nm through MD simulation. Comparing the critical axial strain obtained by the present model and those of Liew et al 5 and Yakobson et al, 2 it is seen that they are in good agreement, and thus validates our proposed model. Table II shows the critical buckling loads of a triplewalled CNT for various innermost radii.…”

Section: Numerical Resultsmentioning

confidence: 84%

“…Over the last decade, the investigations on single-and multiwalled carbon nanotubes ͑CNTs͒ have mainly focused on atomistic methods such as classical molecular dynamics, [1][2][3][4][5][6] tight-binding molecular dynamics, 7,8 and the ab initio method. 9 However, the computational time and effort needed for these methods limit the size and time scales of the single-and multiwalled CNTs studied.…”

Section: Introductionmentioning

confidence: 99%

Buckling analysis of triple-walled carbon nanotubes embedded in an elastic matrix

Kitipornchai

Liew

2005

Journal of Applied Physics

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Explicit formulas are obtained to describe the buckling behavior of triple-walled carbon nanotubes (CNTs) that are embedded in an elastic matrix, with van der Waals (vdW) interaction taken into consideration. The investigation is based on the continuum shell theory in which the individual tube is treated as a cylindrical shell. The elastic matrix surrounding the outermost tube is modeled as a Pasternak foundation to account for not only the normal stress, but also the shear stress between the outermost tube and the surrounding matrix. Numerical analyses are carried out to estimate the critical buckling load of triple-walled CNTs, and the results indicate that the critical buckling loads approach a constant of around 0.26N∕m with the increase of the innermost radii regardless of whether or not the triple-walled CNT is embedded in an elastic matrix. The effects of vdW interactions before and after buckling on the critical buckling load are also examined for triple-walled CNTs with various innermost radii.

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Nanomechanics of single and multiwalled carbon nanotubes

Cited by 314 publications

References 22 publications

Buckling of defective carbon nanotubes

Buckling of defective carbon nanotubes

Continuum model for the vibration of multilayered graphene sheets

Buckling analysis of triple-walled carbon nanotubes embedded in an elastic matrix

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