Molecular dynamics study on the C60 oscillator in a graphene nanoribbon trench

Kang, Jeong Won; Lee, Kang Whan

doi:10.3938/jkps.65.185

Cited by 6 publications

(4 citation statements)

References 40 publications

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“…So these vdW forces can be approximated by two equal and opposite Dirac delta functions, operating at both ends of the GNR trench [71]. Hence, the extruded CNT can quickly and fully retract inside the GNR trench, owing to the restoring force resulting from the vdW interaction acting on the extruded CNT, and then oscillate between the two open ends of the GNR trench.…”

Section: Oscillatory Behaviors Of Cnt-oscillatormentioning

confidence: 99%

Molecular dynamics simulation study of a carbon-nanotube oscillator in a graphene-nanoribbon trench

Lee

Kang

Kim

et al. 2016

Journal of the Korean Physical Society

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Graphene/carbon-nanotube (CNT) hybrid material can be useful in energy storage and nanoelectronic technologies. Here we address the CNT-oscillator encapsulated in a graphenenanoribbon (GNR) trench as a novel design, and investigate its properties via classical molecular dynamics simulations. Since the energy barrier was very low while the CNT was encapsulated in the GNR trench, the CNT absorbed on the GNR surface could easily be encapsulated in the GNR trench.MD simulations showed that the CNT oscillator encapsulated in a GNR trench is compatible with simple CNT oscillators, so we anticipate that the CNT in GNR trench could work as an oscillator. So we can anticipate that the CNT encapsulated in a GNR trench can be applied to ultra-sensitive nanoelectromechanical oscillators, and this system has the possibility to be applied to relay-switching devices, and to shuttle memory.

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Section: Oscillatory Behaviors Of Cnt-oscillatormentioning

confidence: 99%

Molecular dynamics simulation study of a carbon-nanotube oscillator in a graphene-nanoribbon trench

Lee

Kang

Kim

et al. 2016

Journal of the Korean Physical Society

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“…They also found that external excitation is essential to preserve a high-duration oscillation for these kinds of oscillators. Reviewing the literature, several types of nanoscale oscillators have been proposed and studied so far, which include but not limited to ellipsoidal fullerenes–CNT, C 60 –open CNC, carbon onion–graphene sheet, ion-functionalized CNT, C 60 –CNT bundle, metallic nanoparticles–lipid nanotube, ion–peptide nanotube, C 60 –graphene nanoribbon trench oscillators, etc. …”

Section: Introductionmentioning

confidence: 99%

Design of High-Frequency Carbon Nanotube–Carbon Nanotorus Oscillators for Energy Harvesting: A Molecular Dynamics Study

Ajori,

Sadeghi

2024

Langmuir

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The objective of this study is to examine the feasibility of using carbon-based nanostructures as nano-oscillators for future nanoelectromechanical applications such as energy harvesting devices and vibration sensing. The proposed nano-oscillator is comprised of a carbon nanotube (CNT) oscillating through a fixed carbon nanotorus molecule. For the first time in the literature, molecular dynamics (MD) simulations in conjunction with the Tersoff−Brenner (TB) and 6−12 Lennard-Jones (LJ) potential functions are adopted to determine the molecular interactions of the introduced nanodevice. To simulate the oscillatory behavior, two different schemes, namely, rigid and flexible, are considered. A detailed parametric study is performed to investigate the effects of rigidity, flexibility, and size of nanostructures as well as initial velocity on the force distribution and time histories of displacement and velocity of the core. Numerical results reveal that unlike the rigid oscillators, the flexible oscillators damp out within a few cycles. It is shown that the escape velocity of the flexible scheme is ∼6 times greater than that of the rigid scheme. The operating frequency and the generated power of rigid and flexible schemes under different system parameters are also calculated and compared. It is demonstrated that with increasing the ratio of nanotube-to-nanotorus diameter, the operating frequencies of both schemes decrease, while the generated powers do not behave monotonically. For a determined system parameter, it is observed that the flexible scheme provides higher operating frequencies compared to the rigid one. Moreover, considering that the initial velocity of the system is identical to the escape velocity, the generated power of the flexible scheme is calculated to be ∼14 times greater than that of the rigid scheme.

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“…In [9], the mechanics of an oscillator in the form of a fullerene located inside a hexagonal packing of a carbon nanotube beam were considered. The authors of [10] presented a C 60 oscillator placed in a groove of a graphene nanoribbon. In [11], the interaction of fullerene with a carbon nanotube was studied.…”

Section: Introductionmentioning

confidence: 99%

Fullerene Movement in a Carbon Nanocontainer

et al. 2022

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The character of C60 fullerene motion inside a cylindrical carbon nanocontainer with flat graphene covers has been studied. A new trajectory approach to describe the three-dimensional motion of fullerene is presented, based on the use of motion equations for its center of mass in the field of van der Waals forces, as well as the rotational motion equations written in the absolute basis. A high-precision computational technology for implementing this approach is described. Calculations have shown the components of the C60 angular velocity change stepwise. This character of the change in rotation is determined by the impacts of the fullerene on the wall of the container. As a result of these impacts, the energy of rotation changes abruptly.

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Molecular dynamics study on the C60 oscillator in a graphene nanoribbon trench

Cited by 6 publications

References 40 publications

Molecular dynamics simulation study of a carbon-nanotube oscillator in a graphene-nanoribbon trench

Molecular dynamics simulation study of a carbon-nanotube oscillator in a graphene-nanoribbon trench

Design of High-Frequency Carbon Nanotube–Carbon Nanotorus Oscillators for Energy Harvesting: A Molecular Dynamics Study

Fullerene Movement in a Carbon Nanocontainer

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