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We investigate the scattering of long-wavelength flexural phonons against grain boundaries in graphene using molecular dynamics simulations. Three symmetric tilt grain boundaires are considered: one with a misorientation angle of…

材料科学 · 物理学 2015-06-19 Edit E. Helgee , Andreas Isacsson

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…

材料科学 · 物理学 2019-03-25 S. E. Krasavin , V. A. Osipov

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…

材料科学 · 物理学 2015-06-05 D. V. Kolesnikov , V. A. Osipov

Properties of phonons - quanta of the crystal lattice vibrations - in graphene have attracted strong attention of the physics and engineering communities. Acoustic phonons are the main heat carriers in graphene near room temperature while…

介观与纳米尺度物理 · 物理学 2015-06-04 Denis L. Nika , Alexander A. Balandin

A discovery of the unusual thermal properties of graphene stimulated experimental, theoretical and computational research directed at understanding phonon transport and thermal conduction in two-dimensional material systems. We provide a…

材料科学 · 物理学 2017-02-16 Denis L. Nika , Alexander A. Balandin

Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…

材料科学 · 物理学 2015-06-30 Thomas Lehmann , Dmitry A. Ryndyk , Gianaurelio Cuniberti

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…

介观与纳米尺度物理 · 物理学 2021-04-12 Zhen Tong , Alessandro Pecchia , ChiYung Yam , Traian Dumitricǎ , Thomas Frauenheim

The temperature dependence of the mobility in suspended graphene samples is investigated. In clean samples, flexural phonons become the leading scattering mechanism at temperature $T \gtrsim 10\,\,$K, and the resistivity increases…

The discovery of unusual heat conduction properties of graphene has led to a surge of theoretical and experimental studies of phonon transport in two-dimensional material systems. The rapidly developing graphene thermal field spans from…

材料科学 · 物理学 2016-02-01 Denis L. Nika , Alexander A. Balandin

The phonon thermal transport properties of twisted bi-layer graphene are investigated using lattice dynamics and the Boltzmann transport equation. The thermal conductivities of 13.2 and 21.8 twisted configurations are 56% and 36% lower than…

介观与纳米尺度物理 · 物理学 2023-11-07 Shahid Ahmed , Shadab Alam , Ankit Jain

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…

介观与纳米尺度物理 · 物理学 2025-09-16 Wonjae Jeon , Yu Pei , Xun Li , Lucas Lindsay , Sangyeop Lee , Renkun Chen

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…

材料科学 · 物理学 2014-06-05 Yanlei Wang , Zhigong Song , Zhiping Xu

Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to study heat transport in such materials, conventional…

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…

As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…

介观与纳米尺度物理 · 物理学 2016-06-07 Viet Hung Nguyen , Trinh Xuan Hoang , Philippe Dollfus , Jean-Christophe Charlier

Graphene has an extremely high carrier mobility partly due to its planar mirror symmetry inhibiting scattering by the highly occupied acoustic flexural phonons. Electrostatic gating of a graphene device can break the planar mirror symmetry…

介观与纳米尺度物理 · 物理学 2017-02-01 Tue Gunst , Kristen Kaasbjerg , Mads Brandbyge

Despite many of the applications of graphene rely on its uneven stiffness and high thermal conductivity, the mechanical properties of graphene, and in general of all 2D materials, are still elusive. The harmonic theory predicts a quadratic…

We have studied electron scattering by out-of-plane (flexural) phonon modes in doped suspended graphene and its effect on charge transport. In the free-standing case (absence of strain) the flexural branch shows a quadratic dispersion…

材料科学 · 物理学 2012-09-14 Héctor Ochoa , Eduardo V. Castro , M. I. Katsnelson , F. Guinea

The lattice thermal conductivity of graphene is evaluated using a microscopic model that takes into account the lattice's discrete nature and the phonon dispersion relation within the Brillouin zone. The Boltzmann transport equation is…

软凝聚态物质 · 物理学 2024-01-18 J. Chen , Y. Liu

We study the effect of the electron-phonon interaction on the finite frequency dependent electronic thermal conductivity of two dimensional graphene. We calculate it for various acoustic phonons present in graphene and characterized by…

强关联电子 · 物理学 2017-04-07 Pankaj Bhalla
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