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We present an \emph{ab initio} study of the role of interference effects in the thermal conductance of single-molecule junctions. To be precise, using a first-principles transport method based on density functional theory, we analyze the…

Mesoscale and Nanoscale Physics · Physics 2017-12-27 J. C. Klöckner , J. C. Cuevas , F. Pauly

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

Thermal conduction has been suggested as a possible mechanism by which sufficient extra heating is provided in radiation-dominated accretion flows. We consider the extreme case in which the generated energy due to the viscosity and the…

Astrophysics · Physics 2007-05-23 Mohsen Shadmehri , Fazeleh Khajenabi

Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…

Mesoscale and Nanoscale Physics · Physics 2012-04-16 Karol Izydor Wysokinski

The purpose of this paper is to explore the dynamical behaviour of hot accretion flow with thermal conduction. The importance of thermal conduction on hot accretion flow is confirmed by observations of the hot gas that surrounds Sgr A$^*$…

High Energy Astrophysical Phenomena · Physics 2012-05-11 Kazem Faghei

In this work using non-equilibrium molecular dynamics simulation we implement a series of simulation under positive and negative temperature gradient in order to investigate the thermal rectification in the graphene C3B junction GCB. The…

Materials Science · Physics 2021-04-07 Leila Kiani , Javad Hasanzadeh , Farrokh Yousefi

Heat conduction of a real quasi-one dimensional material, the finite length carbon nanowire (CNW), inserted into the single-walled carbon nanotube (SWNT) has been studied by the molecular dynamical (MD) method, in which both of the…

Mesoscale and Nanoscale Physics · Physics 2007-07-31 Gang Wu , Jinming Dong

Vibrational heat transport in molecular junctions is a central issue in different contemporary research areas like Chemistry, material science, mechanical engineering, thermoelectrics and power generation. Our model system consists of a…

Statistical Mechanics · Physics 2025-07-04 Jayasmita Behera , Malay Bandyopadhyay

We study heat transfer between conductors, mediated by the excitation of a monomodal harmonic oscillator. Using a simple model, we show that the onset of rectification in the system is directly related to the nonlinearity of the electron…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Dvira Segal

We show that an increasingly strong thermal rectification effect occurs in the thermodynamic limit in a one-dimensional, graded rotor lattice with nearest-neighboring interactions only. The underlying mechanism is related to the transition…

Statistical Mechanics · Physics 2020-02-11 Shunjiang You , Daxing Xiong , Jiao Wang

Dimensions and molecular structure play pivotal roles in the principle of heat conduction. The dimensional characteristics of solution within nanoscale systems depend on the degrees of confinement. However, the influence of such variations…

Soft Condensed Matter · Physics 2024-05-14 Shun Imamura , Yusei Kobayashi , Eiji Yamamoto

Thermal conduction in polymer nanocomposites depends on several parameters including the thermal conductivity and geometrical features of the nanoparticles, the particle loading, their degree of dispersion and formation of a percolating…

Applied Physics · Physics 2021-01-25 Alessandro di Pierro , Alberto Fina

It is illustrated that semiconductor quantum dots (QDs) embedded into an insulating matrix connected with metallic electrodes and some vacuum space can lead to significant thermal rectification effect. A multilevel Anderson model is used to…

Mesoscale and Nanoscale Physics · Physics 2010-01-11 David M. -T. Kuo , Yia-chung Chang

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

The proper design and synthesis of molecular junctions for the purpose of establishing percolative networks of conductive nanoparticles represent an opportunity to develop more efficient thermally-conductive nanocomposites, with several…

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

We indicate the fundamental rationale underlying the control of temperature and the manipulation of thermal flux, with reference to a multilayered composite material. We show that when the orientation of the layers in the composite is…

Materials Science · Physics 2013-07-29 Krishna. P. Vemuri , P. R. Bandaru

A qubit-oscillator junction connecting as a series two bosonic heat baths at different temperatures can display heat valve and diode effects. In particular, the rectification can change in magnitude and even in sign, implying an inversion…

Quantum Physics · Physics 2025-07-15 Luca Magazzù , Elisabetta Paladino , Jukka P. Pekola , Milena Grifoni

We study ballistic thermal transport in three-terminal atomic nanojunctions by the nonequilibrium Green's function method. We find that there is ballistic thermal rectification in asymmetric three-terminal structures because of the…

Mesoscale and Nanoscale Physics · Physics 2010-03-29 Lifa Zhang , Jian-Sheng Wang , Baowen Li

The thermal transport across metal-insulator interface can be characterized by electron-phonon interaction through which an electron lead is coupled to a phonon lead if phonon-phonon coupling at the interface is very weak. We investigate…

Materials Science · Physics 2013-10-17 Lifa Zhang , Jing-Tao Lü , Jian-Sheng Wang , Baowen Li