Molecular Dynamic simulations of a double-walled carbon nanotube motor subjected to a sinusoidally varying electric field

Negi, Sunita; Warrier, M.; Chaturvedi, S.; Nordlund, K.

doi:10.1016/j.commatsci.2008.07.003

Cited by 15 publications

(7 citation statements)

References 10 publications

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“…Although applications are still in the infancy stage, proof-of-concepts experiments indicate that DWNTs may find applications in areas such as capacitors, [109][110][111] solar cells, 112,113 field effect transistors, 69,114,115 ultra-fast optical switches, 116 mass sensors, 117 and nanomotor/nanobearing. [118][119][120][121][122] The possibility of DWNTs acting as molecular motor is attributed to the small inter-wall resistance of DWNTs, in which a rotation or slide between the inner and outer shells of DWNTs can be easily performed. 121,123,124 A demonstration of the world's smallest motor based on a MWNT has been performed by A. Zettl's group.…”

Section: Applications Challenges and Outlookmentioning

confidence: 99%

Double-walled carbon nanotubes: Challenges and opportunities

2011

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Double-walled carbon nanotubes are coaxial nanostructures composed of exactly two single-walled carbon nanotubes, one nested in another. This unique structure offers advantages and opportunities for extending our knowledge and application of the carbon nanomaterials family. This review seeks to comprehensively discuss the synthesis, purification and characterization methods of this novel class of carbon nanomaterials. An emphasis is placed on the double wall physics that contributes to these structures' complex inter-wall coupling of electronic and optical properties. The debate over the inner-tube photoluminescence provides an interesting illustration of the rich photophysics and challenges associated with the myriad combinations of the inner and outerwall chiralities. Outerwall selective covalent chemistry will be discussed as a potential solution to the unattractive tradeoff between solubility and functionality that has limited some applications of single-walled carbon nanotubes. Finally, we will review the many different uses of double-walled carbon nanotubes and provide an overview of several promising research directions in this new and emerging field.

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Section: Applications Challenges and Outlookmentioning

confidence: 99%

Double-walled carbon nanotubes: Challenges and opportunities

2011

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“…In this paper, molecular dynamics (MD) Simulation is used to investigate the mechanical unravelling of (10, 10) armchair and (18, 0) zigzag SWCNT till failure, using different mechanical schemes at different temperatures. MD simulations can serve as a powerful tool for studying CNTs in different applications [22][23][24][25] that allows for the investigation of the applied atomic forces and stresses as well as the atomic trajectories during the course of the simulation.…”

Section: Introductionmentioning

confidence: 99%

The Unravelling of Open-Ended Single Walled Carbon Nanotubes Using Molecular Dynamics Simulations

Ragab

Basaran

2011

Journal of Electronic Packaging

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The unravelling of (10, 10) and (18, 0) single-walled carbon nanotubes (SWCNTs) is simulated using molecular dynamics simulations at different temperatures. Two different schemes are proposed to simulate the unravelling; completely restraining the last atom in the chain and only restraining it in the axial direction. The forces on the terminal atom in the unravelled chain in the axial and radial directions are reported till the separation of the atomic chain from the carbon nanotube structure. The force-displacement relation for a chain structure at different temperatures is calculated and is compared to the unravelling forces. The axial stresses in the body of the carbon nanotube are calculated and are compared to the failure stresses of that specific nanotube. Results show that the scheme used to unravel the nanotube and the temperature can only effect the duration needed before the separation of some or all of the atomic chain from the nanotube, but does not affect the unravelling forces. The separation of the atomic chain from the nanotube is mainly due to the impulsive excessive stresses in the chain due to the addition of a new atom and rarely due to the steady stresses in the chain. From the simulations, it is clear that the separation of the chain will eventually happen due to the closing structure occurring at the end of the nanotube that would not be possible in multiwalled nanotubes.

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“…For example, it has been shown that the motion of individual atoms, molecules, and clusters located in the interior of CNs can be activated by temperature gradients. ,, Similarly, short outer CNs can be moved along the track provided by coaxial inner CNs . Linear displacements can also couple with angular ones, the relative rotation of double wall CNs being the result of either mechanical forces operating on the CNs or the combination of helicity and phononic excitation. ,,− …”

Section: Introductionmentioning

confidence: 99%

Self-Propulsion of Capped Carbon Nanotubes: A Molecular Dynamics Study

Delogu

2010

J. Phys. Chem. C

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This work focuses on the molecular dynamics of assemblies formed by a carbon nanotube and a small metallic cluster. One nanotube end is capped, and the cluster is located there. When the assemblies are embedded in a liquid phase, this enters the nanotube through its open end. A rapid effusion of solvent from the nanotube interior is induced by submitting the metallic clusters to specific processes consisting of a fast thermal excitation, a coupling with a magnetic field, and a thermally induced phase transition. The solvent effusion generates a thrust on the whole assembly that finally results in a definite linear displacement. A reversible cycle of operation was obtained in all of the cases, which give rise to a novel kind of motor-like behavior on the nanoscale.

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Molecular Dynamic simulations of a double-walled carbon nanotube motor subjected to a sinusoidally varying electric field

Cited by 15 publications

References 10 publications

Double-walled carbon nanotubes: Challenges and opportunities

Double-walled carbon nanotubes: Challenges and opportunities

The Unravelling of Open-Ended Single Walled Carbon Nanotubes Using Molecular Dynamics Simulations

Self-Propulsion of Capped Carbon Nanotubes: A Molecular Dynamics Study

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