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The thermal conductivity of doped graphene flake of finite size is investigated with emphasis on the influence of mass of substituting atoms on this property. It is shown that the graphene doping by small concentrations of relatively heavy…

Mesoscale and Nanoscale Physics · Physics 2012-09-26 Vadym Adamyan , Vladimir Zavalniuk

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

This paper is devoted to development of perturbation theory for studying the properties of graphene sheet of finite size, at nonzero temperature and chemical potential. The perturbation theory is based on the tight-binding Hamiltonian and…

Strongly Correlated Electrons · Physics 2015-12-16 N. Yu. Astrakhantsev , V. V. Braguta , M. I. Katsnelson

In this work we perform a systematic analysis of various structural parameters that have influence on the thermal rectification effect, i.e. asymmetrical heat flow, and the negative differential thermal resistance -- reduction of the heat…

Statistical Mechanics · Physics 2023-10-12 M Romero-Bastida , Brandon Armando Martínez-Torres

We review and obtain some new results on the temperature dependence of spatially nonlocal response functions of graphene and their applications to calculation of both the equilibrium and nonequilibrium Casimir and Casimir-Polder forces.…

Mesoscale and Nanoscale Physics · Physics 2025-10-03 G. L. Klimchitskaya , V. M. Mostepanenko

Within the emerging field of quantum thermodynamics the issues of heat transfer and heat rectification are basic ingredients for the understanding and design of heat engines or refrigerators at nanoscales. Here, a consistent and versatile…

Statistical Mechanics · Physics 2018-11-21 Thomas Motz , Michael Wiedmann , Jürgen T. Stockburger , Joachim Ankerhold

We measure the temperature distribution in a biased single-layer graphene transistor using Raman scattering microscopy of the 2D-phonon band. Peak operating temperatures of 1050 K are reached in the middle of the graphene sheet at 210 KW…

Ab-initio density functional perturbation theory (DFPT) has been employed to study thermodynamical properties of pure and doped graphene sheet and the results have been compared with available theoretical and experimental data. The…

Mesoscale and Nanoscale Physics · Physics 2020-05-22 Sarita Mann , Pooja Rani , Ranjan Kumar , Girija S. Dubey , V. K. Jindal

The shape of a nanomechanical resonator profoundly affects its mechanical properties and determines its suitability for various applications, such as ultra-sensitive mass and force detection. Despite the promise of two-dimensional…

Mesoscale and Nanoscale Physics · Physics 2018-10-18 David Miller , Benjamín Alemán

Non-equilibrium molecular dynamics is used to investigate the heat current due to the atomic lattice vibrations in graphene nanoribbons and nanorings under a thermal gradient. We consider a wide range of temperature, nanoribbon widths up to…

Mesoscale and Nanoscale Physics · Physics 2018-08-14 M. Saiz-Bretin , A. V. Malyshev , F. Dominguez-Adame , D. Quigley , R. A. Roemer

Upon cooling, branched line defects develop in epitaxial graphene grown at high temperature on Pt(111) and Ir(111). Using atomically resolved scanning tunneling microscopy we demonstrate that these defects are wrinkles in the graphene…

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…

Mesoscale and Nanoscale Physics · Physics 2017-06-27 Zheyong Fan , Luiz Felipe C. Pereira , Petri Hirvonen , Mikko M. Ervasti , Ken R. Elder , Davide Donadio , Tapio Ala-Nissila , Ari Harju

Direct growth of flat micrometer-sized bilayer graphene islands in between molybdenum disulfide sheets is achieved by chemical vapor deposition of ethylene at about 800 {\deg}C. The temperature assisted decomposition of ethylene takes place…

Graphene is a very promising material for nanoelectronics applications due to its unique and remarkable electronic and thermal properties. However, when deposited on metallic electrodes the overall thermal conductivity is significantly…

Graphene is a two-dimensional (2D) material with over 100-fold anisotropy of heat flow between the in-plane and out-of-plane directions. High in-plane thermal conductivity is due to covalent sp2 bonding between carbon atoms, whereas…

Materials Science · Physics 2013-01-29 Eric Pop , Vikas Varshney , Ajit K. Roy

Thermal rectification in heat conduction problems has been extensively studied in planar slabs. Here we consider the rectification problem in planar, cylindrical and spherical geometries involving two layers one of which has a temperature…

Applied Physics · Physics 2018-08-21 Hamou Sadat , Vital Le Dez

Thermodynamic properties of graphene bilayers are studied by path-integral molecular dynamics (PIMD) simulations, considering quantization of vibrational modes and anharmonic effects. Bilayer graphene has been studied at temperatures…

Materials Science · Physics 2020-01-10 Carlos P. Herrero , Rafael Ramirez

Thermalization in nonlinear systems is a central concept in statistical mechanics and has been extensively studied theoretically since the seminal work of Fermi, Pasta and Ulam (FPU). Using molecular dynamics and continuum modeling of a…

Mesoscale and Nanoscale Physics · Physics 2014-04-23 Daniel Midtvedt , Zenan Qi , Alexander Croy , Harold S. Park , Andreas Isacsson

Nanopores of nanometer-size holes are very promising devices for many applications: DNA sequencing, sensory, biosensoring and molecular detectors, catalysis and water desalination. These applications require accurate control over nanopores…

Materials Science · Physics 2018-09-11 Konstantin V. Zakharchenko , A. V. Balatsky

We investigate thermal rectification in a bulk material with a pyramid shape to elucidate shape dependence of the thermal rectification, and find that rectifying coefficient R is 1.35 for this shape, which is smaller than R=1.43 for a…

Materials Science · Physics 2015-05-27 D. Sawaki , W. Kobayashi , Y. Moritomo , I. Terasaki