Mechanics of atoms and fullerenes in single-walled carbon nanotubes. I. Acceptance and suction energies: Proc. R. Soc. A 463, 461-476 (11 October 2006)

Cox, Barry J.; Thamwattana, Ngamta; Hill, James M.; Newton, P.; Chamoun, G.

doi:10.1098/rspa.2006.1771erratum

Cited by 28 publications

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“…For the nanotorus to be accepted onto the nanotube from the leftmost end by the van der Waals force alone, the sum of its kinetic energy and the work done from −ϱ to Z 0 , the point at which the force at the leftmost end becomes negative, must be positive. Following Cox et al, 13 we therefore obtain the condition E KE + E a Ͼ 0, where E KE is the kinetic energy and E a is the work done from −ϱ to Z 0 , termed the acceptance energy. If we assume that the nanotorus is initially at rest then the condition becomes E a Ͼ 0.…”

Section: Interaction Of Nanotorus With the Carbon Nanotubementioning

confidence: 99%

“…The amount of energy imparted on the nanotorus when it is sucked onto the nanotube is termed the suction energy 13 E s , calculated by integrating the van der Waals force from −ϱ to 0, or the strength of one pulse. This suction energy can be used to calculate the oscillation velocity of the nanotorus evaluated in the following section, and is given by…”

Section: Interaction Of Nanotorus With the Carbon Nanotubementioning

confidence: 99%

“…Such suction behavior does not always occur, and precise notions and definitions of suction and acceptance energies were formulated by Cox et al, 13 and an acceptance condition was given prescribing whether or not a buckyball will be sucked into the nanotube by the van der Waals force alone. Cox et al 14 also used mathematical modeling techniques to determine the oscillation frequency of the C 60 -nanotube oscillator and obtained comparable results to those obtained through molecular dynamics simulations.…”

Section: Introductionmentioning

confidence: 99%

“…Previous research into gigahertz oscillators has been predominantly through molecular dynamics simulations. Here we use elementary mechanical principles and classical applied mathematical modeling techniques to formulate ideal model behavior, following that formulated by Cox et al 13,14 for the C 60 -nanotube oscillator. The aim of this work is to investigate the interaction of the nanotorus and the nanotube, to determine the resulting energy of the system, acceptance, and suction energies, and finally to analyze the oscillatory behavior.…”

Section: Introductionmentioning

confidence: 99%

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Oscillating carbon nanotori along carbon nanotubes

Hilder

Hill

2007

Phys. Rev. B

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Section: Interaction Of Nanotorus With the Carbon Nanotubementioning

confidence: 99%

Section: Interaction Of Nanotorus With the Carbon Nanotubementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Oscillating carbon nanotori along carbon nanotubes

Hilder

Hill

2007

Phys. Rev. B

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“…In this paper we use elementary mechanical principles and classical applied mathematical modeling techniques, following those formulated by Cox, Thamwattana, and Hill. 20 Despite the speculative nature of these potential nanoscale devices, such a study must necessarily precede any practical implementation.…”

Section: Introductionmentioning

confidence: 99%

Orbiting atoms and C60 fullerenes inside carbon nanotori

Hilder

Hill

2007

Journal of Applied Physics

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The discovery of carbon nanostructures, such as carbon nanotubes and C 60 fullerenes, has generated considerable interest for potential nanoelectronic applications. One such device is the high frequency nanoscale gigahertz oscillator. Several studies investigating these oscillators demonstrate that sliding an inner-shell inside an outer-shell of a multiwalled carbon nanotube generates oscillatory frequencies in the gigahertz range. Research has shown that the oscillation is sensitive to the diameter and the helicity of the tube and that the inner tube length can be used to tune the frequency, such that the smaller the inner tube length the higher the frequency of oscillation, suggesting that a C 60 fullerene might provide the ultimate core. Recently, researchers have observed single continuous toroidal nanotubes with no beginning or end, effectively a single-walled carbon nanotube closed around onto itself so that the two open ends fuse together, stabilized by van der Waals forces alone, to form a perfect "nanotorus." The question arises as to whether it is possible to create a C 60 -nanotorus oscillator or orbiter, comprising a C 60 fullerene orbiting around the inside of a nanotorus. The C 60 -nanotorus orbiter has yet to be constructed and the aim here is to assess its feasibility by examining the dominant mechanics of this potential nanoscale device. As in previous studies, the Lennard-Jones potential is used to calculate the interatomic forces acting on the fullerene due to the nonbonded interactions. Furthermore, other relevant forces are examined. Initially, we investigate the dynamics of an orbiting single atom followed by the corresponding analysis for an orbiting C 60 fullerene. The equilibrium position depends on the radius of the nanotorus tube for both the atom and the C 60 fullerene. Gravity is shown to be negligible, while the centrifugal forces are shown to move the orbiting body further from the center of the nanotorus. The theory also predicts that by changing the orbital position, the resulting frequencies, which are in the gigahertz range, may vary to as much as four times those obtained for the C 60 -nanotube oscillator.

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Continuum Modeling with Functional Lennard–Jones Parameters for DNA‐Graphene Interactions

Stevens

Thamwattana

Tran‐Duc

2023

Advcd Theory and Sims

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Carbon nanostructures are of particular interest as platforms for molecular storage and adsorption. In this paper, the adsorption of a single stranded DNA molecule onto a graphene sheet is considered. Even though DNA molecules are complicated heterogeneous structures comprising several types of atoms, it is found that the repeated patterns within the DNA molecules enable the use of a continuum approach to model the DNA‐graphene sheet interaction. Here, a model is proposed such that the heterogeneity across the DNA molecule is captured by interaction functions, which are used to replace the attractive and repulsive constants in the Lennard‐Jones potential. Result from this new model shows better agreement to molecular dynamics simulations compared to the traditional continuum approach where atoms on the DNA are averaged evenly across the molecule. Finally, the paper comments on the model, its parameters, and suggests ways for improvement.

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Mechanics of atoms and fullerenes in single-walled carbon nanotubes. I. Acceptance and suction energies: Proc. R. Soc. A 463, 461-476 (11 October 2006)

Cited by 28 publications

References 0 publications

Oscillating carbon nanotori along carbon nanotubes

Oscillating carbon nanotori along carbon nanotubes

Orbiting atoms and C60 fullerenes inside carbon nanotori

Continuum Modeling with Functional Lennard–Jones Parameters for DNA‐Graphene Interactions

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