Compression of Carbon Nanotubes Filled with<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>CH</mml:mi></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>, or Ne: Predictions from Molecular Dynamics Simulation

Ni, Boris; Sinnott, Susan B.; Mikulski, Paul T.; Harrison, Jeffrey S.

doi:10.1103/physrevlett.88.205505

Cited by 216 publications

(124 citation statements)

References 45 publications

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“…Wang et al [11,12] studied elastic buckling of individual MWNTs under external radial pressure and axially compressed buckling of pressured MWNTs using a multiple-shell model. Their results showed that the predicted critical pressure and the predicted increment of critical axial stress due to an internal radial pressure using continuum mechanics model were in reasonably good agreement with the experiment results [13] and the results for filled CNTs by molecular dynamics simulations [14], respectively. Wang et al [15] studied the effect of van der Waals forces on the pull-in stability of CNTs using the cantilever beam with large deformation model.…”

Section: Introductionsupporting

confidence: 70%

Axisymmetric compressive buckling of multi-walled carbon nanotubes under different boundary conditions

2011

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The paper studies the axisymmetric compressive buckling behavior of multi-walled carbon nanotubes (MWNTs) under different boundary conditions based on continuum mechanics model. A buckling condition is derived for determining the critical buckling load and associated buckling mode of MWNTs, and numerical results are worked out for MWNTs with different aspect ratios under fixed and simply supported boundary conditions. It is shown that the critical buckling load of MWNTs is insensitive to boundary conditions, except for nanotubes with smaller radii and very small aspect ratio. The associated buckling modes for different layers of MWNTs are in-phase, and the buckling displacement ratios for different layers are independent of the boundary conditions and the length of MWNTs. Moreover, for simply supported boundary conditions, the critical buckling load is compared with the corresponding one for axial compressive buckling, which indicates that the critical buckling load for axial compressive buckling can be well approximated by the corresponding one for axisymmetric compressive buckling. In particular, for axial compressive buckling of double-walled carbon nanotubes, an analytical expression is given for approximating the critical buckling

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Section: Introductionsupporting

confidence: 70%

Axisymmetric compressive buckling of multi-walled carbon nanotubes under different boundary conditions

2011

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“…It means that by inserting SWCNT into other CNTs with a larger diameter, the buckling capacity of the MWCNTs can be enhanced significantly. This point was also highlighted by Ni et al 32 in their MD simulations of SWCNTs filled with C 60 , CH 4 , or Ne and by Wang et al 33 in their analysis of axially compressed MWCNTs modeled by multiple continuum thin cylindrical shells. This characteristic of MWCNTs makes them promising candidates as superfibers for nanotube-composite materials.…”

Section: A Buckling Of Set 1 Mwcntsmentioning

confidence: 66%

Examining the effects of wall numbers on buckling behavior and mechanical properties of multiwalled carbon nanotubes via molecular dynamics simulations

Zhang

Wang

Tan

2008

Journal of Applied Physics

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Molecular dynamics simulations are performed on multiwalled carbon nanotubes ͑MWCNTs͒ under axial compression to investigate the effects of the number of walls and their van der Waals ͑vdW͒ interaction on the buckling behaviors and mechanical properties ͑Young's modulus and Poisson's ratio͒. The Brenner second-generation reactive empirical bond order and Lennard-Jones 12-6 potential have been adopted to describe the short-range bonding and long-range vdW atomic interaction within the carbon nanotubes, respectively. In the presence of vdW interaction, the buckling strain and Young's modulus of MWCNTs increase as the number of tubes is increased while keeping the outermost tube diameter constant, whereas Poisson's ratio was observed to decrease. On the other hand, when the MWCNTs are formed by progressively adding outer tubes while keeping the innermost tube diameter constant, Young's modulus and buckling strain were observed to decrease, whereas Poisson's ratio increases. The buckling load increases with increasing the number of walls due to the larger cross-sectional areas. Individual tubes of MWCNTs with a relatively large difference between the diameters of the inner and outer tubes buckle one at a time as opposed to simultaneously for MWCNTs with a relatively small difference in diameters.

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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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Compression of Carbon Nanotubes Filled withC60,CH4, or Ne: Predictions from Molecular Dynamics Simulation

Cited by 216 publications

References 45 publications

Axisymmetric compressive buckling of multi-walled carbon nanotubes under different boundary conditions

Axisymmetric compressive buckling of multi-walled carbon nanotubes under different boundary conditions

Examining the effects of wall numbers on buckling behavior and mechanical properties of multiwalled carbon nanotubes via molecular dynamics simulations

Buckling of defective carbon nanotubes

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