Molecular dynamics calculation of the thermal conductivity coefficient of single-layer and multilayer graphene sheets

Selezenev, A. A.; Aleinikov, A. Yu.; Ganchuk, N. S.; Ganchuk, S. N.; Jones, Reese E.; Zimmerman, Jonathan A.

doi:10.1134/s1063783413040264

Cited by 11 publications

(7 citation statements)

References 20 publications

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“…In this paper, we have used non-equilibrium molecular dynamics method (NEMD) [18][19][20] to investigate different stacking ways, interfacial temperature and size effect on BGNs with different edge shapes. The van der Waals interaction among two layers is described by the Lennard-Jones (L-J) potential.…”

Section: Introductionmentioning

confidence: 99%

Investigation on thermal conductivity of bilayer graphene nanoribbons

et al. 2014

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We investigated the thermal conductivity of bilayer graphene nanoribbons (BGNs) using nonequilibrium molecular dynamics method (NEMD). The relationships among thermal conductivity, different ways of stacking, size, interfacial temperature and edge shape were studied. Two different stacking ways for BGNs are AA-stacked type and AB-stacked type. The results show that the thermal conductivities of AAstacked BGNs are slightly higher than those of AB-stacked BGNs under the same simulation conditions because of different crystal structures. The thermal conductivity of zigzag BGNs (ZBGNs) first increases and then decreases with increasing width. However, the thermal conductivity of armchair BGNs (ABGNs) monotonously increases with increasing width. The thermal conductivity of BGNs increases with the length of the simulation system. In addition BGNs show temperature dependence and edge-shape dependence for thermal conductivity. We have explained the simulation results by the inter-layer phonon coupling and the phonon scattering, which have been shown to significantly affect the thermal conductivity of BGNs. The systematic analysis of thermal conductivity of BGNs did not only help to obtain conclusions regarding the achievable thermal performance, but also provided the possibility to design different dimensional BGNs for different BGNs-based thermal and microelectronic components.

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Section: Introductionmentioning

confidence: 99%

Investigation on thermal conductivity of bilayer graphene nanoribbons

et al. 2014

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“…[65] Sample size also has a great influence on the κ value of graphene, as numerous theoretical works predicted. [39,66,67] In practical cases, the values of κ tend to stabilize after the grain size reaches the micron level.…”

Section: Thickness Effectmentioning

confidence: 99%

“…In 2011, Yavari et al compared reduced graphene nanosheets as a filler in 1-octadecanol (stearyl alcohol) with other fillers, such as silver nanowires and CNTs. [66] The same weight ratio (5%) of [169] Copyright 2011, AIP Publishing. c) Schematic of graphene/Cu/graphene measured with the modified "laser flash" experimental setup.…”

Section: Grapheneandpolymer Composite Materialsmentioning

confidence: 99%

“…Conventional polymer‐based composites suffer from additional thermal boundary resistance caused by phonon coupling at the polymer/filler interface. [ 66 ] However, the high thermal conductivity of filler graphene provides a lower‐resistance path for phonons to travel. Furthermore, the intrinsically high in‐plane κ value and high aspect ratio of graphene as filler also facilitate the heat transfer of graphene&polymer composites.…”

Section: The Development In 2d Materials For Thermal Dissipation Appl...mentioning

confidence: 99%

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High Thermal Conductivity 2D Materials: From Theory and Engineering to Applications

Tian

Shen

et al. 2022

Adv Materials Inter

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The channel/gate length of transistors is getting close to the physical limit. [1] To meet the requirements of chip performance, advanced design technologies are utilized to bring higher Transistors are getting close to their physical limitation, and complex chip design technologies have made the hotspot problem more serious. Graphene and hBN, as representative 2D semi-metal and dielectric materials, possess excellent thermal conductivities. Intrinsic 2D materials, 2D film materials, and 2D composite materials have been investigated, showing great potential for next-generation thermal-management materials. There are products that have already been commercialized based on graphene and hBN, but many companies seem to be sitting on the fence, and the obstacles toward implementation of these materials need to be specified. Here, high thermal conductivity 2D materials from theory and engineering to applications are reviewed, aiming to provide a comprehensive summary of the current state of the art of this field in order to give an overview and future prospects in application, manufacturing, and commercialization. From the theoretical perspective, the impact factors and development path of 2D materials for thermal dissipation and the engineering aspect of structural design are presented. The prospects and challenges are also tackled, expressing an objective view about future opportunities to build 2D-based heat-dissipation systems.

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“…The coefficients of thermal conductivity of copper (Fig. 4) at the given temperatures are 401, 396, and 393 W/m K, respectively [14,15]. The coefficients of thermal conductivity of single-layer single-crystal graphene (Fig.…”

Section: T °Cmentioning

confidence: 99%

Application of Graphene in The Cooling System of a Personal Electronic Computer

et al. 2021

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A study of the application of a graphene-based cooling system for a personal electronic computer (PC) is presented. The features of using monocrystalline and polycrystalline graphene in practice are analyzed. A comparison is made with the materials currently used in the cooling systems of a PC. The heat flux densities are calculated as a function of the temperature between the copper plate and the water adsorbate and between the two layers of polycrystalline graphene and water adsorbate. The prospects for the use of graphene in cooling systems of PCs are outlined.

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Molecular dynamics calculation of the thermal conductivity coefficient of single-layer and multilayer graphene sheets

Cited by 11 publications

References 20 publications

Investigation on thermal conductivity of bilayer graphene nanoribbons

Investigation on thermal conductivity of bilayer graphene nanoribbons

High Thermal Conductivity 2D Materials: From Theory and Engineering to Applications

Application of Graphene in The Cooling System of a Personal Electronic Computer

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