Atomistic simulations of vibration and damping in three-dimensional graphene honeycomb nanomechanical resonators

Li, Bing; Wei, Yulan; Meng, Fanchao; Ou, Pengfei; Chen, Yuying; Che, Lianqiang; Chen, Cheng; Song, Jun

doi:10.1016/j.spmi.2020.106420

Cited by 9 publications

(4 citation statements)

References 40 publications

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“…The stiffness was calculated in this work by DFT. The damping factor of the nanostructures was assumed to be 3 × 10 –2 based on a previous work . The graph in Figure a shows how the maximum PNR deflection depends on the frequency and amplitude of the excitation.…”

Section: Resultsmentioning

confidence: 99%

Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons

Pyrchla

Bogdanowicz

2022

J. Phys. Chem. C

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Nanoribbons are crucial nanostructures due to their superior mechanical and electrical properties. This paper is devoted to hybrid studies of the elastic mechanical anisotropy of phosphorene nanoribbons whose edges connect the terminals of devices such as bridges. Fundamental mechanical properties, including Young’s modulus, Poisson’s ratio, and density, were estimated from first-principles calculations for 1-layer, 3-layer, and 6-layer nanoribbons with widths of 10 Å. The data achieved from the ab initio simulations supplied the finite-element model (FEM) of the nanoribbons. The directional coefficients of strain pressure curves were estimated as Young’s effective modulus since the structure is one-dimensional (1D). The modulus values were equal to 85.8, 111.8, and 134 GPa for 6, 3 and 1 layers, respectively. Moreover, the variation in Poisson’s coefficient for the armchair direction was significantly smaller than for the zigzag direction. Monotonic changes in this twist were observed for structures with 3 and 6 layers within the plane along the zigzag axis. The phosphorene nanoribbons subjected to periodic excitation behaved similarly to those subjected to static loading, while their whippiness was inversely proportional to the length. Next, the deflection under static force, resonance frequencies, and response to a variable driving force were calculated.

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Section: Resultsmentioning

confidence: 99%

Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons

Pyrchla

Bogdanowicz

2022

J. Phys. Chem. C

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“…If the temperature is considered to be zero degrees Kelvin and also the chemical doping and gate voltage are considered to be ineffective, as a result of these cases, both the carrier density (ns) and the chemical potential (µc) are negligible and approximately zero. 𝜎 𝑖𝑛𝑡𝑟𝑎 and 𝜎 𝑖𝑛𝑡𝑒𝑟 are described such this [62][63][64][65][66][67][68][69][70]…”

Section: Graphene Conductivitymentioning

confidence: 99%

Implementation of a Graphene-Based RGW Coupler for THz Applications

Kiani

Hamedani

Rezaei

2023

Preprint

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Ridge gap waveguide is one of the new technologies in the field of waveguides. Their advantages include being planar, low cost of construction, shielding by metal without the need for problems related to packaging, the formation of a narrow gap enclosed between two metal plates, realization of the texture on one of the metal plates and lower losses. These structures have no mechanical connection. While electric currents must flow in them. In this article, two graphene-based ridge gap waveguide coupler structures are presented. The designed structures are used in the THz band. By using graphene in the THz frequency band, frequency reconfigurable can be achieved. S-parameters curves, phase difference diagrams and e-field distributions are reported for two graphene-based ridge gap waveguide couplers.

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“…Despite the slight uncertainty of the AIREBO application for the study of mechanical properties of GA, there is plenty of work devoted to this issue, where simulation is conducted with AIREBO. Based on such works as [37][38][39]63,64], where the deformation behavior of GA was studied and considered in comparison with the experiment, we choose AIREBO interatomic potential for the present work. To avoid non-physical post-hardening behavior under large strains, we set the cut-off distances in the AIREBO potential to 1.92 Å, as suggested by previous studies [37,65,66].…”

Section: Simulation Detailsmentioning

confidence: 99%

“…Thus, the honeycomb GA can be effectively used for the verification of the model accuracy. Interestingly, it was shown in [64] that the resonant frequency of the zigzag honeycomb is lower than that of the armchair honeycomb, which means that the nonlinearity of the zigzag honeycomb is stronger than that of the armchair honeycomb. For arrow GA, the stress-strain curves for uniaxial tension along the x and z directions almost coincide.…”

Section: Effect Of Loading Directionmentioning

confidence: 99%

Strength and Deformation Behavior of Graphene Aerogel of Different Morphologies

Baimova,

Shcherbinin

2023

Materials

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Graphene aerogels are of high interest nowadays since they have ultralow density, rich porosity, high deformability, and good adsorption. In the present work, three different morphologies of graphene aerogels with a honeycomb-like structure are considered. The strength and deformation behavior of these graphene honeycomb structures are studied by molecular dynamics simulation. The effect of structural morphology on the stability of graphene aerogel is discussed. It is shown that structural changes significantly depend on the structural morphology and the loading direction. The deformation of the re-entrant honeycomb is similar to the deformation of a conventional honeycomb due to the opening of the honeycomb cells. At the first deformation stage, no stress increase is observed due to the structural transformation. Further, stress concentration on the junctions of the honeycomb structure and over the walls occurs. The addition of carbon nanotubes and graphene flakes into the cells of graphene aerogel does not result in a strength increase. The mechanisms of weakening are analyzed in detail. The obtained results further contribute to the understanding of the microscopic deformation mechanisms of graphene aerogels and their design for various applications.

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Atomistic simulations of vibration and damping in three-dimensional graphene honeycomb nanomechanical resonators

Cited by 9 publications

References 40 publications

Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons

Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons

Implementation of a Graphene-Based RGW Coupler for THz Applications

Strength and Deformation Behavior of Graphene Aerogel of Different Morphologies

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