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In this paper, heat flux in graphene nano ribbons has been studied by using molecular dynamics simulations. It is found that the heat flux runs preferentially along the direction of decreasing width, which demonstrates significant thermal…

Materials Science · Physics 2009-06-08 Nuo Yang , Gang Zhang , Baowen Li

Thermal rectification in thickness asymmetric graphene nanoribbons connecting single-layer with multi-layer graphene is investigated by using classical nonequilibrium molecular dynamics. It is reported that the graphene nanoribbons with…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Wei-Rong Zhong , Wei-Hao Huang , Xi-Rong Deng , Bao-Quan Ai

We present a thermal device based on the near-field interaction between two substrates made of a polar and a metal-insulator-transition material. As a result of the temperature dependence of the optical properties, this device acts as a…

Applied Physics · Physics 2022-06-03 Simon Landrieux , Philippe Ben-Abdallah , Riccardo Messina

An increasing number of papers propose routes to implement thermal counterparts of electronic rectification. These schemes are mainly based on combinations of crystal anharmonicity and broken mirror symmetry. With respect to graphene,…

Mesoscale and Nanoscale Physics · Physics 2025-01-13 Daryoush Shiri , Andreas Isacsson

Using molecular dynamics(MD) simulations, we study thermal transport in graphene nanoribbons (GNR) subjected to uniform uniaxial and nonuniform strain fields. We predict significant thermal rectification (over 70%) in a rectangular armchair…

Materials Science · Physics 2012-05-24 K. G. S. H. Gunawardana , Kieran Mullen , Jiuning Hu , Yong P. Chen , Xiulin Ruan

In this letter we study thermal conduction in mass-graded graphene flakes by nonequilibrium molecular dynamics simulations. It is found that mass-graded graphene flakes reveal no thermal rectification effect in thermal conduction process.…

Materials Science · Physics 2011-09-15 Jigger Cheh , Hong Zhao

Using nonequilibrium molecular dynamics simulations, we study the heat conduction in graphene flakes composed by two regions. One region is mass-loaded and the other one is intact. It is found that the mass interface between the two regions…

Materials Science · Physics 2015-05-30 Jigger Cheh , Hong Zhao

A thermal diode based on the asymmetric radiative heat transfer between nanoparticles assisted by the nonreciprocal graphene plasmons waveguides is proposed in this work. The thermal diode system consists of two particles and a drift-biased…

Mesoscale and Nanoscale Physics · Physics 2020-03-18 Yong Zhang , Cheng-Long Zhou , Hong-Liang Yi , He-Ping Tan

The low rectification ratio limits the application of thermal rectifiers. In this paper, it is found that a series circuit of thermal rectifiers in asymmetric graphene/graphene phononic crystal (GPnC) structures can improve rectification…

Mesoscale and Nanoscale Physics · Physics 2016-05-09 Shiqian Hu , Meng An , Nuo Yang , Baowen Li

Thermal rectifiers are devices that have different thermal conductivities in opposing directions of heat flow. The realization of practical thermal rectifiers relies significantly on a sound understanding of the underlying mechanisms of…

Materials Science · Physics 2023-12-22 Simanta Lahkar , Raghavan Ranganathan

Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…

Computational Physics · Physics 2021-07-29 Farrokh Yousefi , Farhad Khoeini , Ali Rajabpour

Diffusion and drift of a graphene flake on a graphite surface are analyzed. A potential energy relief of the graphene flake is computed using ab initio and empirical calculations. Based on the analysis of this relief, different mechanisms…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Irina V. Lebedeva , Andrey A. Knizhnik , Andrey M. Popov , Olga V. Ershova , Yurii E. Lozovik , Boris V. Potapkin

We have investigated the lattice thermal transport across the asymmetric tilt grain boundary between armchair and zigzag graphene by nonequilibrium molecular dynamics (NEMD). We have observed significant temperature drop and ultra-low…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Hai-Yuan Cao , Hongjun Xiang , Xin-Gao Gong

We study heat conduction in (n, 0)/(2n, 0) intramolecular junctions by using molecular dynamics method. It is found that the heat conduction is asymmetric, namely, heat transports preferably in one direction. This phenomenon is also called…

Mesoscale and Nanoscale Physics · Physics 2007-08-18 Gang Wu , Baowen Li

We use density functional theory to determine the equilibrium shape of graphene flakes, through the calculation of the edge orientation dependence of the edge energy and edge stress of graphene nanoribbons. The edge energy is a nearly…

Mesoscale and Nanoscale Physics · Physics 2011-08-08 Chee Kwan Gan , David J. Srolovitz

Conversion of heat-flux, from a steady state temperature difference, to mechanical vibration is demonstrated in graphene nanoribbons using direct non-equilibrium molecular dynamics (NEMD). We observe that this effect is independent of the…

Mesoscale and Nanoscale Physics · Physics 2019-03-25 Daryoush Shiri , Andreas Isacsson

In this work we study the thermal rectification efficiency, i.e., asymmetric heat flow, of a three-dimensional mass-graded anharmonic lattice of length $N$ and width $W$ by means of nonequilibrium molecular dynamics simulations. The…

Statistical Mechanics · Physics 2021-10-29 M. Romero-Bastida , M. Lindero-Hernández

In this report, we present Raman spectroscopy investigation of the thermal stability and dynamics of graphene edges. It was found that graphene edges (both armchair and zigzag) are not stable and undergo modifications even at temperature as…

Materials Science · Physics 2010-12-15 Ya Nan Xu , Da Zhan , Lei Liu , Hui Suo , Zhen Hua Ni , Thuong Thuong Nguyen , Chun Zhao , Ze Xiang Shen

Thermal rectification which is a diode-like behavior of heat flux has been studied over a long time. However, a universal and systematic physical description is still lacking. In this letter, a perturbation theory of thermal rectification…

Mesoscale and Nanoscale Physics · Physics 2020-10-14 Chuang Zhang , Meng An , Zhaoli Guo , Songze Chen

We have used molecular dynamics to calculate the thermal conductivity of symmetric and asymmetric graphene nanoribbons (GNRs) of several nanometers in size (up to ~4 nm wide and ~10 nm long). For symmetric nanoribbons, the calculated…

Mesoscale and Nanoscale Physics · Physics 2010-08-10 Jiuning Hu , Xiulin Ruan , Yong P. Chen
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