On the mechanical characteristics of graphene nanosheets: a fully nonlinear modified Morse model

Nazarloo, Ahad Shoghmand; Ahmadian, Mohammad Taghi; Firoozbakhsh, Keikhosrow

doi:10.1088/1361-6528/ab598e

Cited by 9 publications

(4 citation statements)

References 54 publications

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“…There are several studies of GNR mechanical properties. Many consider PBC for one of the ribbon dimensions [33,43,65], while other studies consider finite-size ribbons [29,32,34,42,[66][67][68]79]. Some works for finite-size consider one variable dimension [66], while others consider changes in the GNR area [32,68].…”

Section: Discussionmentioning

confidence: 99%

“…Many consider PBC for one of the ribbon dimensions [33,43,65], while other studies consider finite-size ribbons [29,32,34,42,[66][67][68]79]. Some works for finite-size consider one variable dimension [66], while others consider changes in the GNR area [32,68]. There are studies on GNR that show size-dependent elasticity using pair potentials like springs [80] and Morse [79], and there are also studies using FEM [67,79].…”

Section: Discussionmentioning

confidence: 99%

“…For instance, Damasceno et al [67] used the Atomic-Scale Finite Element Method based on the second generation REBO potential to analyze zGNRs with a length of 16 rings, varying their width from 3 to 17 rings, and found that Young's modulus goes from 0.9 to 0.7 TPa, respectively. Nazarloo et al [68] found Young's modulus from 0.828 to 0.923 TPa, for a set of different sizes (length: 0.982-19.894 nm, width: 1.134-20.278 nm), using a nonlinear modified Morse model.…”

Section: Young's Modulus For Different Potentialsmentioning

confidence: 99%

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Simulated mechanical properties of finite-size graphene nanoribbons

et al. 2020

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There are many simulation studies of mechanical properties of graphene nanoribbons (GNR), but there is a lack of agreement regarding elastic and plastic behavior. In this paper we aim to analyze mechanical properties of finite-size GNR, including elastic modulus and fracture, as a function of ribbon size. We present classical molecular dynamics simulations for three different empirical potentials which are often used for graphene simulations: AIREBO, REBO-scr and REAXFF. Ribbons with and without H-passivation at the borders are considered, and the effects of strain rate and different boundaries are also explored. We focus on zig-zag GNR, but also include some armchair GNR examples. Results are strongly dependent on the empirical potential employed. Elastic modulus under uniaxial tension can depend on ribbon size, unlike predictions from continuum-scale models and from some atomistic simulations, and fracture strain and progress vary significantly amongst the simulated potentials. Because of that, we have also carried out quasi-static ab-initio simulations for a selected size, and find that the fracture process is not sudden, instead the wave function changes from Blöch states to a strong interaction between localized waves, which decreases continuously with distance. All potentials show good agreement with DFT in the linear elastic regime, but only the REBO-scr potential shows reasonable agreement with DFT both in the nonlinear elastic and fracture regimes. This would allow more reliable simulations of GNRs and GNR-based nanostructures, to help interpreting experimental results and for future technological applications.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Young's Modulus For Different Potentialsmentioning

confidence: 99%

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Simulated mechanical properties of finite-size graphene nanoribbons

et al. 2020

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“…Graphene is one of the promising materials for flexible electronic devices as it can offer numerous benefits [1][2][3]. Hence, graphene-based materials are potential to be used within flexible sensors [4][5][6], including all transparent graphene e-skin [7], piezopotential powered graphene strain sensor [8], direct-contact tribotronic graphene device [9], and graphene sensory synapse [10].…”

Section: Introductionmentioning

confidence: 99%

Electron-Induced Perpendicular Graphene Sheets Embedded Porous Carbon Film for Flexible Touch Sensors

et al. 2020

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• An efficient method was proposed to prepare perpendicular graphene nano-sheets in flexible sensor electrode. • The nanostructure in carbon electrode was fabricated to further enhance the sensitivity of sensor device using a simple method. • The capacitance showed high performance within only 50-μm dielectric thickness, and an exciting phenomenon of decreasing in capacitance was analyzed. ABSTRACT Graphene-based materials on wearable electronics and bendable displays have received considerable attention for the mechanical flexibility, superior electrical conductivity, and high surface area, which are proved to be one of the most promising candidates of stretching and wearable sensors. However, polarized electric charges need to overcome the barrier of graphene sheets to cross over flakes to penetrate into the electrode, as the graphene planes are usually parallel to the electrode surface. By introducing electron-induced perpendicular graphene (EIPG) electrodes incorporated with a stretchable dielectric layer, a flexible and stretchable touch sensor with "in-sheet-chargestransportation" is developed to lower the resistance of carrier movement. The electrode was fabricated with porous nanostructured architecture design to enable wider variety of dielectric constants of only 50-μm-thick Ecoflex layer, leading to fast response time of only 66 ms, as well as high sensitivities of 0.13 kPa −1 below 0.1 kPa and 4.41 MPa −1 above 10 kPa, respectively. Moreover, the capacitance-decrease phenomenon of capacitive sensor is explored to exhibit an object recognition function in one pixel without any other integrated sensor. This not only suggests promising applications of the EIPG electrode in flexible touch sensors but also provides a strategy for internet of things security functions.

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Equilibrium and Stability of Anisotropic Hyperelastic Graphene Membranes

Pelliciari

Tarantino

2021

J Elast

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On the mechanical characteristics of graphene nanosheets: a fully nonlinear modified Morse model

Cited by 9 publications

References 54 publications

Simulated mechanical properties of finite-size graphene nanoribbons

Simulated mechanical properties of finite-size graphene nanoribbons

Electron-Induced Perpendicular Graphene Sheets Embedded Porous Carbon Film for Flexible Touch Sensors

Equilibrium and Stability of Anisotropic Hyperelastic Graphene Membranes

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