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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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

应用物理 · 物理学 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,…

介观与纳米尺度物理 · 物理学 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…

材料科学 · 物理学 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.…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

材料科学 · 物理学 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…

计算物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

统计力学 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 2010-08-10 Jiuning Hu , Xiulin Ruan , Yong P. Chen
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