scholarly journals Nanomechanics of Nonideal Single- and Double-Walled Carbon Nanotubes

2012 ◽  
Vol 2012 ◽  
pp. 1-9 ◽  
Author(s):  
C. H. Wong ◽  
V. Vijayaraghavan
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Inner Core ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Tube Axis ◽  
Nonbonded Interactions ◽  
High Performing ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

The buckling characteristics of nonideal single- and double-walled carbon nanotubes were studied in this work via molecular dynamics simulation method. An imperfectly straight nonideal single-walled carbon nanotube (SWCNT) with a bent along the tube axis was used to form an array which is subjected to compression. The change in orientation of bends will result in a variation of nonbonded interactions in an SWCNT array system. We find that these variations in the nonbonded interactions strongly affect the buckling resistance of the SWCNT array. Similarly, a nonideal double-walled carbon nanotube (DWCNT) is constructed by varying the interlayer distance by introducing a center offset on the inner core SWCNT. The inclusion of offset along the tube axis in such nonideal DWCNT can enhance or deteriorate the mechanical qualities of the DWCNT under compression. Our numerical studies on nonideal CNT systems suggest a possibility of designing high-performing CNTs for applications involving fiber reinforcements.

Possibility of Improving Oscillation Performance of Double-Walled Nanotube Oscillators via Tuning Vacancy Defects

2017 ◽  
Vol 48 ◽  
pp. 148-155 ◽  
Author(s):  
Qiang Hui Luo ◽  
Wu Gui Jiang ◽  
Qing Hua Qin
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Energy Dissipation ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Vacancy Defects ◽  
Rocking Motion ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

The oscillatory behaviors of an oscillator made from double-walled carbon nanotubes (DWCNTs) with vacancy defects were systematically investigated via molecular dynamics simulation method. We found that the vacancy defects change the off-axial rocking motion and the van der Waals potential, resulting in more energy dissipation. Unlike the case in the C60–nanotube oscillators (Song, et al., Phys. Lett. A. 373 2009, 1058-1061) that one vacancy can make the oscillators more stable, our study showed that the vacancies cannot improve the performance of DWCNT-based oscillators no matter where vacancy defects are located.

Carbon Nanotubes under Bending Strain

2001 ◽  
Vol 706 ◽  
Author(s):  
M. Huhtala ◽  
A. Kuronen ◽  
K. Kaski
Keyword(s):  
Carbon Nanotubes ◽  
Classical Model ◽  
Tight Binding ◽  
Simulation Method ◽  
Model Potential ◽  
Dynamics Simulation ◽  
Bending Strain ◽  
Deformation Patterns ◽  
Walled Carbon Nanotubes ◽  
Similar Deformation

AbstractBending induced deformations in single walled carbon nanotubes with zigzag and armchair chirality have been studied computationally using a classical molecular dynamics simulation method. In this the interatomic forces have been described with Brenner's empirical model potential. The results given by this classical model have been assessed by letting the most critical, i.e. the most deformed part, of the nanotube further relax by using a dynamical tight binding simulation method. We find that the empirical potential based approach and the tight binding method reproduce similar deformation patterns when the deformation remains relatively small but at higher levels of deformation the results differ significantly. These comparative simulations indicate that graphene interlayer interaction is an important factor in the behavior of deformed nanotubes.

Buckling of a Clamped-Free Double-Walled Carbon Nanotube by the Bubnov-Galerkin Method

2012 ◽  
Vol 80 (1) ◽  
Author(s):  
Isaac Elishakoff ◽  
Simon Bucas
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Galerkin Method ◽  
Compressive Load ◽  
Comparison Functions ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

This study deals with the Bubnov-Galerkin method applied to the buckling of clamped-free double-walled carbon nanotubes (DWCNTs) subjected to a concentrated compressive load at the free end. It was found that at least four comparison functions are needed in order to obtain accurate results.

Effective Approximations for Natural Frequencies of Double-Walled Carbon Nanotubes Based on Donnell Shell Theory

2011 ◽  
Vol 2 (2) ◽  
Author(s):  
Demetris Pentaras ◽  
Isaac Elishakoff
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Natural Frequency ◽  
Characteristic Equation ◽  
Shell Theory ◽  
Natural Frequencies ◽  
Analytical Formulas ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes ◽  
First Time

The vibration behavior of double-walled carbon nanotube (DWCNT) is investigated based on Donnell shell theory with van der Waals interaction taken into consideration. In addition, new results are obtained for the natural frequencies of a DWCNT based on a simplified version of Donnell shell theory by neglecting the tangential inertia terms. The resulting reduced characteristic equation for the natural frequency represents the radial mode of vibration. The factor of neglecting tangential inertia relative to the values of frequencies obtained by full Donnell shell theory is also obtained with attendant interesting results. Further possible simplifications of Donnell shell theory are introduced. For the first time in the literature, the effect of neglect of tangential inertia terms in DWCNTs is investigated. Accurate approximate analytical formulas are uncovered for the fundamental natural frequencies and compared with the exact values.

Heat Conduction Simulation in Double-Walled Carbon Nanotubes With Intertube Additional Atoms

2014 ◽  
Author(s):  
Peng Tan ◽  
Yanhui Feng ◽  
Liu Cui ◽  
Xinxin Zhang
Keyword(s):  
Thermal Conductivity ◽  
Carbon Nanotubes ◽  
Heat Conduction ◽  
Cross Section ◽  
Phonon Scattering ◽  
Simulation Method ◽  
Local Deformation ◽  
Structural Deformation ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

Heat conduction of double-walled carbon nanotubes (DWCNTs) with intertube additional carbon atoms was investigated using molecular dynamics (MD) simulation method. The interaction between carbon atoms was modeled using the Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) Potential. The related phonon density of states (DOS) was analyzed to help explain the heat conduction mechanism. It is indicated that intertube additional atoms of DWCNT will weaken the heat conduction along the axis. The addition of intertube atoms, which are covalently bonded to the inner and outer tubes, leads to localized structural deformation, which acting as a phonon barrier for ballistic heat transport. In addition, the intertube atoms become the new centers of phonon scattering and reduce VDOS. The deformation is the primary reason for the reduction of thermal conductivity. With the increasing number of additional atoms, the thermal conductivity of DWCNTs with atoms added at the same cross section drops sharply than that added along the tube axis, because the former addition causes more serious local deformation. Under the situation of addition at the cross section, if the number of intertube atoms is beyond a critical value, the distribution of these atoms seems to have little influences on the heat conduction in the tube.

scholarly journals Buckling of double-walled carbon nanotubes

2012 ◽  
Vol 34 (4) ◽  
pp. 217-224 ◽  
Author(s):  
Isaac Elishakoff ◽  
Kévin Dujat ◽  
Maurice Lemaire
Keyword(s):  
Carbon Nanotubes ◽  
Exact Solution ◽  
Approximate Solution ◽  
Carbon Nanotube ◽  
Finite Difference ◽  
Finite Difference Method ◽  
Simply Supported ◽  
The Finite Difference Method ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

In this note we deal with the approximate solution of the buckling problem of a clamped-free double-walled carbon nanotube. First the finite difference method is utilized to solve this case. Then this approach is verified by solving the buckling problem of a double-walled carbon nanotube that is simply supported at both ends for which the exact solution is available.

scholarly journals Carbon nanotube ecotoxicity in amphibians: assessment of multiwalled carbon nanotubes and comparison with double-walled carbon nanotubes

Nanomedicine ◽  
2010 ◽  
Vol 5 (6) ◽  
pp. 963-974 ◽  
Author(s):  
Florence Mouchet ◽  
Perine Landois ◽  
Pascal Puech ◽  
Eric Pinelli ◽  
Emmanuel Flahaut ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Multiwalled Carbon Nanotubes ◽  
Multiwalled Carbon ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes
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