Computation of the thermal resistance in graphene sheets with a rectangular hole

Yarifard, Mohsen; Davoodi, Jamal; Rafii-Tabar, Hashem

doi:10.1016/j.commatsci.2016.09.009

Cited by 11 publications

(7 citation statements)

References 29 publications

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“…The jump in the temperature profile is associated with the reduction of the heat flux. Moreover, the temperature jumps near the low temperature side are larger than those near the high temperature side, which is consistent with the conclusion of a rectangular defect graphene structure [20]. In order to decrease the error, the temperature jump values were the differences of the linear fitting data at the jump points.…”

Section: Resultssupporting

confidence: 81%

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Thermal Transport of Graphene Sheets with Fractal Defects

et al. 2018

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Graphene combined with fractal structures would probably be a promising candidate design of an antenna for a wireless communication system. However, the thermal transport properties of fractal graphene, which would influence the properties of wireless communication systems, are unclear. In this paper, the thermal transport properties of graphene with a Sierpinski fractal structure were investigated via the reverse non-equilibrium molecular dynamics simulation method. Simulation results indicated that the thermal conductivity of graphene with fractal defects decreased from 157.62 to 19.60 (W m−1 K−1) as the fractal level increased. Furthermore, visual display and statistical results of fractal graphene atomic heat flux revealed that with fractal levels increasing, the real heat flux paths twisted, and the angle distributions of atomic heat flux vectors enlarged from about (−30°, 30°) to about (−45°, 45°). In fact, the fractal structures decreased the real heat flow areas and extended the real heat flux paths, and enhanced the phonon scattering in the defect edges of the fractal graphene. Analyses of fractal graphene thermal transport characters in our work indicated that the heat transfer properties of fractal graphene dropped greatly as fractal levels increased, which would provide effective guidance to the design of antennae based on fractal graphene.

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Section: Resultssupporting

confidence: 81%

“…The thermal features of graphene sheets have been regulated through chemical doping [16] and physical tailoring [17]. However, graphene sheets with fractal defects have seldom been studied [18,19,20].…”

Section: Introductionmentioning

confidence: 99%

Thermal Transport of Graphene Sheets with Fractal Defects

et al. 2018

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“…While their use as thermal junction remains theoretical owing to the difficulties in the synthesis of such molecular junctions, six-member carbon rings between graphene nanoribbons were previously addressed as a model system for graphitized polyimide/graphene composites 59 . It is worth noting that acene junctions preserves the conjugation of sp 2 carbon across the contact of the two graphene sheets; in fact acene-bridged graphene sheets could even be considered as a single graphene with rectangular holes in its structure, that was previously addressed by Yarifard et al 60 As a first case study, C5OP was analyzed in a range of parameters, including Thermostat Temperature Difference (TTD), molecular conformation and junction topology. The TTD effect was evaluated keeping the simulation equilibrium temperature centered at 300K and increasing the TTD from 20K to 25K and 30K, leading to Gm values of 139±7, 131±6 and 135±4 pW/K, respectively, which are considered constant within the experimental uncertainty.…”

Section: Resultsmentioning

confidence: 99%

Aromatic molecular junctions between graphene sheets: a molecular dynamics screening for enhanced thermal conductance

et al. 2019

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The proper design and synthesis of molecular junctions for the purpose of establishing percolative networks of conductive nanoparticles represent an opportunity to develop more efficient thermallyconductive nanocomposites, with several potential applications in heat management. In this work, theoretical classical molecular dynamics simulations were conducted to design and evaluate thermal conductance of various molecules serving as thermal bridges between graphene nanosheets. A wide range of molecular junctions was studied, with a focus on the chemical structures that are viable to synthesize at laboratory scale. Thermal conductances were correlated with the length and mechanical stiffness of the chemical junctions. The simulated tensile deformation of the molecular junction revealed that the mechanical response is very sensitive to small differences in the chemical structure. The analysis of the vibrational density of states provided insights into the interfacial vibrationalproperties. A knowledge-driven design of the molecular junction structures is proposed, aiming at controlling interfacial thermal transport in nanomaterials. This approach may allow for the design of more efficient heat management in nanodevices, including flexible heat spreaders, bulk heat exchangers and heat storage devices.©2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/

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“…The TC of graphene can be changed by constructing the structures of graphene (Yarifard et al, 2017); introducing defects into graphene is an available method to adjust the graphene structure (Hao et al, 2011). As a good way to study the thermal mechanisms of graphene and the impacts of influence factors (Chen et al, 2015;Chen and Deng, 2017), the effects of defects on the TC of onedimensional material were numerically investigated by molecular dynamics (MD) simulation (Cui et al, 2016;Bazrafshan and Rajabpour, 2017;Hu et al, 2017;Han et al, 2019a;Han et al, 2019b).…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Investigation on Thermal Conductivity and Photon Behaviors of Graphene With Sierpinski Carpet Fractal Defects

Shao

et al. 2022

Front. Energy Res.

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The thermal conductivity (TC) of graphene with Sierpinski carpet fractal (SCF) and regular carpet (RC) defects is numerically studied by the non-equilibrium molecular dynamics (NEMD) method. The influences of porosity, fractal levels, and types of defects on the TC of graphene are clarified, and the underlying mechanisms of phonon behaviors are uncovered. The numerical results indicate that the defects in graphene induce the atoms that have the heat transfer blockage effect, and thus, the TC of defective graphene decreases with increasing porosity. With the increase in fractal levels, more atoms have the heat transfer blockage effect, which induces the TC of graphene with SCF defects to sharply decrease. Moreover, compared with the graphene with RC defects, more atoms participate in the heat transfer blockage under the graphene with SCF defects, which leads to the lower TC of graphene with SCF defects.

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Computation of the thermal resistance in graphene sheets with a rectangular hole

Cited by 11 publications

References 29 publications

Thermal Transport of Graphene Sheets with Fractal Defects

Thermal Transport of Graphene Sheets with Fractal Defects

Aromatic molecular junctions between graphene sheets: a molecular dynamics screening for enhanced thermal conductance

Molecular Dynamics Investigation on Thermal Conductivity and Photon Behaviors of Graphene With Sierpinski Carpet Fractal Defects

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