Non-equilibrium molecular dynamics study on radial thermal conductivity and thermal rectification of graphene

Yousefi, Farrokh; Shavikloo, Masoumeh; Mohammadi, Maryam

doi:10.1080/08927022.2019.1578354

Cited by 25 publications

(15 citation statements)

References 41 publications

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“…It can be observed that as |∆| increases from 0.001 to 1.0, the thermal rectification ratio REC increases whatever the characteristic length. In addition, the heat flux prefers to flow from the inner to the outer boundary, which is opposite to the previous results in graphene predicted by the molecular dynamics [38].…”

Section: Resultscontrasting

confidence: 99%

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Radial thermal rectification in concentric silicon ring from ballistic to diffusive regime

Zhang

Guo

Chen

2020

International Journal of Heat and Mass Transfer

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The radial thermal rectification in the concentric silicon ring from ballistic to diffusive regime is investigated based on the phonon Boltzmann transport equation. In the ballistic and diffusive limits, the analytical solutions prove that there is no thermal rectification. In the ballistic-diffusive regime, the heat flux prefers to flow from the inner boundary to the outer boundary. Furthermore, as the characteristic length (the distance between two circular boundaries) increases from tens of nanometers to tens of microns, the thermal rectification ratio enhances first and then fades away gradually. It attributes to that as the direction of the temperature gradient changes, the average phonon mean free path changes. The difference of the average phonon mean free path finally leads to the change of the heat flux or thermal conductivity. As the temperature decreases, the maximum thermal rectification ratio decreases. In addition, as the radius ratio between the inner and outer boundary increases, the thermal rectification ratio decreases for a given characteristic length.

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Section: Resultscontrasting

confidence: 99%

“…In this study, the radial thermal rectification in the homogeneous concentric silicon ring from ballistic to diffusive regime is investigated, which is motivated by the nonuniform radial thermal conductivity [36,37] and radial thermal rectification in graphene [38] and helium II [39]. The paper is organized as follows.…”

Section: Introductionmentioning

confidence: 99%

Radial thermal rectification in concentric silicon ring from ballistic to diffusive regime

Zhang

Guo

Chen

2020

International Journal of Heat and Mass Transfer

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“…5, the thermal rectification is ~ 2-6% for sample length between 36 and 86 nm. For comparison, the obtained thermal rectifications in the previous works are ~20% 15 , 0-15% 17 , < 40% 41 , 15-65% 25 . As already reported, the thermal rectification is not almost sensitive to the sample length but is sensitive to the temperature difference between the hot and the cold regions.…”

Section: Resultsmentioning

confidence: 89%

“…They demonstrated that heat flux in that system runs from branches to the stem, therefore the system was introduced as a promising thermal rectifier. Thermal rectification also has been seen in asymmetric graphene nanoribbon 23 , carbon nanocone 24 , and radial graphene 25 .…”

Section: Introductionmentioning

confidence: 87%

Thermal rectification and interfacial thermal resistance in hybrid pillared-graphene and graphene: a molecular dynamics and continuum approach

2020

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In this study, we investigate the thermal rectification and thermal resistance in the hybrid pillared-graphene and graphene (PGG) system. This is done through the classical molecular dynamics simulation (MD) and also with a continuum model. At first, the thermal conductivity of both pillared-graphene and graphene is calculated employing MD simulation and Fourier's low. Our results show that the thermal conductivity of the pillared-graphene is much smaller than the graphene by an order of magnitude. Next, by applying positive and negative temperature gradients along the longitudinal direction of PGG, the thermal rectification is examined. The MD results indicate that for the lengths in the range of 36 to 86 nm, the thermal rectification remains almost constant (~3-5%). We have also studied the phonon density of states (DOS) on both sides of the interface of PGG. The DOS curves show that there is phonon scattering at low frequencies (acoustic mode) that depends on the imposed temperature gradient direction in the system. Therefore, we can 2 introduce the PGG as a promising thermal rectifier at room temperature. Furthermore, in the following of this work, we also explore the temperature distribution over the PGG by using the continuum model. The results that obtained from the continuum model predict the MD results such as the temperature distribution in the upper half-layer and lower full-layer graphene, the temperature gap and also the thermal resistance at the interface.

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“…Therefore, many experimental researches were done to find new 2D materials such as MoS 2 [11], h-BN [12], graphane [13,14], C 3 N [15], C 3 B [16,17], borophene [18], phosphorene [19] and dozens of others for different goals. Thermal properties of these 2D materials were studied very well in the last decade [20][21][22]. Moreover, it is interesting to determine the thermal properties such as thermal rectification (thermal diode) and thermal logic gate from the hybrid of these materials.…”

Section: Introductionmentioning

confidence: 99%

Phonon modes contribution in thermal rectification in graphene-C3B junction: A molecular dynamics study

Kiani

Hasanzadeh

Yousefi

et al. 2021

Physica E: Low-dimensional Systems and Nanostructures

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Non-equilibrium molecular dynamics study on radial thermal conductivity and thermal rectification of graphene

Cited by 25 publications

References 41 publications

Radial thermal rectification in concentric silicon ring from ballistic to diffusive regime

Radial thermal rectification in concentric silicon ring from ballistic to diffusive regime

Thermal rectification and interfacial thermal resistance in hybrid pillared-graphene and graphene: a molecular dynamics and continuum approach

Phonon modes contribution in thermal rectification in graphene-C3B junction: A molecular dynamics study

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