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The effect of grain boundary (GB) structure, size and shape on thermal conductivity of polycrystalline graphene is studied in the framework of the deformation potential approach. Precise analytical expressions for the phonon mean free path…

Materials Science · Physics 2019-03-25 S. E. Krasavin , V. A. Osipov

Graphene has drawn wide attention due to its exceptional thermal conductivity but complete understanding of thermal characteristics of polycrystalline graphene is still elusive to date. For the first time, herein, we have systematically…

Materials Science · Physics 2013-04-26 Young I. Jhon , Myung S. Jhon

Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal…

Materials Science · Physics 2014-06-05 Yanlei Wang , Zhigong Song , Zhiping Xu

Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…

Materials Science · Physics 2015-11-26 Konstanze R. Hahn , Claudio Melis , Luciano Colombo

Understanding the impact of lattice imperfections on nanoscale thermal transport is crucial for diverse applications ranging from thermal management to energy conversion. Grain boundaries (GBs) are ubiquitous defects in polycrystalline…

We present systematic thermal conductivity measurements of suspended thin graphite ribbons, 234-527 nm thick, using a four-probe 3-omega method. Unlike recent reports of phonon hydrodynamics and exceptionally high thermal conductivity in…

Mesoscale and Nanoscale Physics · Physics 2025-09-16 Wonjae Jeon , Yu Pei , Xun Li , Lucas Lindsay , Sangyeop Lee , Renkun Chen

We study the interfacial thermal conductance of grain boundaries (GBs) between monolayer graphene and hexagonal boron nitride (h-BN) sheets using a combined atomistic approach. First, realistic samples containing graphene/h-BN GBs with…

Materials Science · Physics 2022-01-03 Haikuan Dong , Petri Hirvonen , Zheyong Fan , Ping Qian , Yanjing Su , Tapio Ala-Nissila

We reveal that phononic thermal transport in graphene is not immune to grain boundaries (GBs) aligned along the direction of the temperature gradient. Non-equilibrium molecular dynamics simulations uncover a large reduction in the phononic…

Mesoscale and Nanoscale Physics · Physics 2021-04-12 Zhen Tong , Alessandro Pecchia , ChiYung Yam , Traian Dumitricǎ , Thomas Frauenheim

The thermal conductivity of graphene nanoribbons (layer from 1 to 8 atomic planes) is investigated by using the nonequilibrium molecular dynamics method. We present that the room-temperature thermal conductivity decays monotonically with…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Wei-Rong Zhong , Mao-Ping Zhang , Bao-Quan Ai , Dong-Qin Zheng

Grain boundaries (GBs) strongly influence thermal transport in crystalline solids by disrupting lattice periodicity and scattering phonons. Due to the atomic-level disorder and structural complexity, a fundamental understanding of how…

The low-temperature thermal conductivity in polycrystalline graphene is theoretically studied. The contributions from three branches of acoustic phonons are calculated by taking into account scattering on sample borders, point defects and…

Materials Science · Physics 2015-06-05 D. V. Kolesnikov , V. A. Osipov

Grain boundaries (GBs) are ubiquitous in polycrystalline graphene materials obtained by various growth methods. It has been shown previously that considerable electrical transport gap can be opened by grain boundaries. On the other hand,…

Mesoscale and Nanoscale Physics · Physics 2012-08-31 S. Bala Kumar , Jing Guo

Grain boundaries (GBs), an important constituent of polycrystalline materials, have a wide range of manifestion and significantly affect the properties of materials. Fully understanding the effects of GBs is stalemated due to lack of…

Materials Science · Physics 2021-03-19 Cheng-yan Liu , Zhi-ming Li , Xin-gao Gong

We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. Graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission…

We report on the investigation of thermal transport in non-cured silicone composites with graphene fillers of different lateral dimensions. Graphene fillers are comprised of few-layer graphene flakes with lateral sizes in the range from 400…

Graphane and graphene are both two-dimensional materials but of different bonding configurations, which can result in distinct thermal conduction properties. We simulate thermal conduction in graphane nanoribbons (GANRs) using the…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Dengfeng Li , Yong Xu , Xiaobin Chen , Bolin Li , Wenhui Duan

Layered materials have uncommonly anisotropic thermal properties due to their strong in-plane covalent bonds and weak out-of-plane van der Waals interactions. Here we examine heat flow in graphene (graphite), h-BN, MoS2, and WS2 monolayers…

Mesoscale and Nanoscale Physics · Physics 2017-11-09 Zuanyi Li , Yizhou Liu , Lucas Lindsay , Yong Xu , Wenhui Duan , Eric Pop

We have investigated the grain boundary scattering effect on the thermal transport behavior of uranium dioxide (UO$_2$). The polycrystalline samples having different grain-sizes (0.125, 1.8, and 7.2 $\mu$m) have been prepared by spark…

Materials Science · Physics 2019-10-18 K. Shrestha , T. Yao , J. Lian , D. Antonio , M. Sessim , M. R. Tonks , K. Gofryk

We present a theoretical study of electronic and thermal transport in polycrystalline heterostructures combining graphene (G) and hexagonal boron nitride (hBN) grains of varying size and distribution. By increasing the hBN grain density…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 J. E. Barrios Vargas , B. Mortazavi , A. W. Cummings , R. Martinez-Gordillo , M. Pruneda , L. Colombo , T. Rabczuk , S. Roche

Graphene grain boundaries are known to affect phonon transport and thermal conductivity, suggesting that they may be used to engineer the phononic properties of graphene. Here, the effect of two buckled grain boundaries on long-wavelength…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Edit E. Helgee , Andreas Isacsson
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