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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

We study bi-segment thermal rectifiers whose forward heat fluxes are greater than reverse counterparts. Presently, a shortcoming of thermal rectifiers is that the rectification ratio, namely the forward flux divided by the reverse flux,…

Computational Physics · Physics 2014-10-21 Tien-Mo Shih , Zhaojing Gao , Ziquan Guo , Guangcao Liu , Holger Merlitz , Patrick J. Pagni , Zhong Chen

Nonlinear electrical properties of graphene-based three-terminal nanojunctions are presented. Intrinsic rectification of voltage is observed up to room temperature. The sign and the efficiency of the rectification can be tuned by a gate.…

Mesoscale and Nanoscale Physics · Physics 2010-07-23 A. Jacobsen , I. Shorubalko , L. Maag , U. Sennhauser , K. Ensslin

We have investigated the thermal rectification phenomenon in a single-wall mass graded carbon nanotube by molecular dynamics simulation. Second generation Brenner potential has been used to model the inter atomic carbon interaction. Fixed…

Materials Science · Physics 2015-06-22 M. Ebrahim Foulaadvand , Azadeh Saeedi , Farrokh Yousefi , Saeed Khadesadr

The size-dependent electrical resistivity of single-layer graphene ribbons has been studied experimentally for ribbon widths from 16 nm to 320 nm. The experimental findings are that the resistivity follows a more dramatic trend than that…

Mesoscale and Nanoscale Physics · Physics 2019-05-24 Zhuocong Xiao , Colm Durkan

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

Systems in which the heat flux depends on the direction of the flow are said to present thermal rectification. This effect has attracted much theoretical and experimental interest in recent years. However, in most theoretical models the…

Statistical Mechanics · Physics 2015-12-14 Pedro H. Guimarães , Gabriel T. Landi , Mário J. de Oliveira

Motivated by recent free-standing graphene experiments, we show how thermal fluctuations affect the mechanical properties of microscopically thin solid ribbons. A renormalization group analysis of flexural phonons reveals that elongated…

Soft Condensed Matter · Physics 2016-06-22 Andrej Kosmrlj , David R. Nelson

The realization of phononic computing is held hostage by the lack of high performance thermal devices. Here we show through theoretical analysis and molecular dynamics simulations that unprecedented thermal rectification factors (as large…

Chemical Physics · Physics 2015-07-20 Teng Zhang , Tengfei Luo

We studied the thermal conductivity of graphene phononic crystal (GPnC), also named as graphene nanomesh, by molecular dynamics simulations. The dependences of thermal conductivity of GPnCs on both length and temperature are investigated.…

Materials Science · Physics 2015-12-07 Lina Yang , Jie Chen , Nuo Yang , Baowen Li

Understanding phonon scattering by topological defects in graphene is of particular interest for thermal management in graphene-based devices. We present a study that quantifies the roles of the different mechanisms governing defect phonon…

Materials Science · Physics 2016-11-04 Ziming Zhu , Xiaolong Yang , Mingyuan Huang , Qingfeng He , Guang Yang , Zhao Wang

Using non-equilibrium molecular dynamics method(NEMD), we have found that the thermal conductivity of multilayer graphene nanoribbons monotonously decreases with the increase of the number of layers, such behavior can be attributed to the…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Hai-Yuan Cao , Zhi-Xin Guo , Hongjun Xiang , Xin-Gao Gong

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

In this work we conduct an extensive study of the asymmetric heat flow, i.e. thermal rectification, present in the two-segment Frenkel Kontorova model with both nearest-neighbor (NN) and next-nearest-neighbor (NNN) interactions. We have…

Statistical Mechanics · Physics 2024-11-18 M. Romero-Bastida , A. Poceros Varela

In this work, a thermal rectification ratio $\eta$ of 18.5% was observed in partially perforated graphene with the use of Molecular Dynamics (MD) simulations. In all cases studied here, heat preferentially flows from the porous to the…

Materials Science · Physics 2025-04-23 Markos Poulos , Konstantinos Termentzidis

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

The enhancement of thermoelectric figure of merit ZT requires to either increase the power factor or reduce the phonon conductance, or even both. In graphene, the high phonon thermal conductivity is the main factor limiting the…

Mesoscale and Nanoscale Physics · Physics 2016-09-19 Van-Truong Tran , Jérôme Saint-Martin , Philippe Dollfus , Sebastian Volz

The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…

Mesoscale and Nanoscale Physics · Physics 2015-08-19 Van-Truong Tran , Jérôme Saint Martin , Philippe Dollfus

We investigate the local electron temperature distribution in carbon nano-ribbon (CNR) and graphene junctions subject to an applied thermal gradient. Using a realistic model of a scanning thermal microscope, we predict quantum temperature…

Mesoscale and Nanoscale Physics · Physics 2013-06-21 Justin P. Bergfield , Mark A. Ratner , Charles A. Stafford , Massimiliano Di Ventra

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