A molecular mechanics approach for the vibration of single-walled carbon nanotubes

Chowdhury, Rajib; Adhikari, Sondipon; Wang, C.Y.; Scarpa, Fabrizio

doi:10.1016/j.commatsci.2010.03.020

Cited by 126 publications

(44 citation statements)

References 33 publications

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“…In the context of SWCNTs, the difference between the frequencies of the two types (e.g. zigzag and armchair) is also not very large [32]. This may be expected as SWCNTs are effectively rolled up SLGS.…”

Section: Dependence Of the Atomic Structurementioning

confidence: 83%

“…The force field functional forms and parameters used in this study are in accordance with [45]. The calculation of frequency and their validation for CNTs were detailed in [32]. In the following section we provide the methodology of the frequency calculation.…”

Section: Molecular Simulation Approachmentioning

confidence: 99%

“…They observed higher resonance frequencies from the nonlinear model compared with the equivalent linear model. A molecular mechanics (MM) approach based on the computation of the Hessian matrix and its eigenvalues has been proposed by some authors to describe the structural dynamics of singlewall carbon nanotubes (SWCNTs) [32], and used to validate a lattice structural mechanics (SM) approach in nanoribbons [33]. In this work, we describe the behaviour of the natural frequencies and modeshapes of SLGSs with various boundary conditions using the MM method, and compare the findings with continuum mechanics based on isotropic properties.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Transverse vibration of single-layer graphene sheets

Chowdhury¹,

Adhikari²,

Scarpa³

et al. 2011

J. Phys. D: Appl. Phys.

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We investigate the vibrational properties of zigzag and armchair single-layer graphene sheets (SLGSs) using the molecular mechanics (MM) approach. The natural frequencies of vibration and their associated intrinsic vibration modes are obtained. Vibrational analysis is performed with different chirality and boundary conditions. The simulations are carried out for three types of zigzag and armchair SLGS. The universal force field potential is used for the MM approach. The first four natural frequencies are obtained for increasing lengths. The results indicate that the natural frequencies decrease as the length increases. The results follow similar trends with results of previous studies for SLGS using a continuum structural mechanics approach. These results have shown the applicability of SLGSs as electromechanical resonators.

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Section: Dependence Of the Atomic Structurementioning

confidence: 83%

Section: Molecular Simulation Approachmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Transverse vibration of single-layer graphene sheets

Chowdhury¹,

Adhikari²,

Scarpa³

et al. 2011

J. Phys. D: Appl. Phys.

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“…A constant modal damping factor of 1% for all the modes is assumed. By comparing with MD simulation results [40,41] it was observed that e 0 a = 1 nm is the optimal value of the nonlocal parameter.…”

Section: Axial Vibration Of a Single-walled Carbon Nanotubementioning

confidence: 99%

Nonlocal Modal Analysis for Nanoscale Dynamical Systems

Adhikari¹,

Gilchrist²,

Murmu³

et al. 2014

Proceedings of the 4th International Conference on Computational Methods in Structural Dynamics and Earthquake Engineering (COM

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“…They have pointed out that there is a critical aspect ratio between diameter and length to determine vibration mode shapes, and it can be empirically formulated as a function of nanotube length and diameter. Chowdhury et al [14] have investigated the vibrational properties of zigzag and armchair SWCNTs using the molecular mechanics approach based on the universal force field. Their results indicate that the natural frequencies decrease as the aspect ratios increase showing similar trends with results of previous studies for CNTs.…”

Section: Introductionmentioning

confidence: 99%

The Effect of Atom Vacancy Defect on the Vibrational Behavior of Single-Walled Carbon Nanotubes: A Structural Mechanics Approach

Georgantzinos

Giannopoulos

Anifantis

2014

Advances in Mechanical Engineering

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An atomistic structural mechanics method, which is based on the exclusive use of spring elements, is developed in order to study the effect of imperfections due to atom vacancy on the vibrational characteristics of single-walled carbon nanotubes (SWCNTs). The developed elements simulate the relative translations and rotations between atoms as well as the mass of the atoms. In this way, molecular mechanics theory can be applied directly because the atomic bonds are modeled by using exclusively physical variables such as bond stretching. The method is validated for its predictability comparing with vibration results found in the open literature for pristine nanotubes. Then, it is used for the vibration analysis of defective nanotubes. Imperfections such as one-atom vacancy, two-atom vacancy, and one carbon hexagonal cell vacancy are investigated. Their effect on vibrational behavior is explored for different defect positions, nanotube diameters, and support conditions. According to the obtained results, the fundamental frequency is decreased as the size of imperfection increases, and the percentage reduction in fundamental frequency due to the atomic vacancy defect is more affected for a single-clamped SWCNT than for a double-clamped one.

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A molecular mechanics approach for the vibration of single-walled carbon nanotubes

Cited by 126 publications

References 33 publications

Transverse vibration of single-layer graphene sheets

Transverse vibration of single-layer graphene sheets

Nonlocal Modal Analysis for Nanoscale Dynamical Systems

The Effect of Atom Vacancy Defect on the Vibrational Behavior of Single-Walled Carbon Nanotubes: A Structural Mechanics Approach

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