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Heating and heat conduction in molecular junctions are considered within a general NEGF formalism. We obtain a unified description of heating in current carrying molecular junctions as well as the electron and phonon contributions to the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Michael Galperin , Mark A. Ratner , Abraham Nitzan

We investigate the transport of phonons between $N$ harmonic oscillators in contact with independent thermal baths and coupled to a common oscillator, and derive an expression for the steady state heat flow between the oscillators in the…

Quantum Physics · Physics 2015-05-14 André Xuereb , Alberto Imparato , Aurélien Dantan

We consider heat conduction across an ordered oscillator chain with harmonic interparticle interactions and also onsite harmonic potentials. The onsite spring constant is the same for all sites excepting the boundary sites. The chain is…

Statistical Mechanics · Physics 2009-11-13 Dibyendu Roy , Abhishek Dhar

An analytical model of unsteady heat transfer in a one-dimensional harmonic crystal is presented. A nonlocal temperature is introduced as a generalization of the kinetic temperature. A closed equation determining unsteady thermal processes…

Statistical Mechanics · Physics 2015-11-25 Anton M. Krivtsov

We obtain an analytical expression for the heat current between two overdamped quantum oscillators interacting with local thermal baths at different temperatures. The total heat current is split into classical and quantum contributions. We…

Quantum Physics · Physics 2021-01-04 Sadeq S. Kadijani , Thomas L. Schmidt , Massimiliano Esposito , Nahuel Freitas

We study the nonequilibrium steady-state of a fully-coupled network of $N$ quantum harmonic oscillators, interacting with two thermal reservoirs. Given the long-range nature of the couplings, we consider two setups: one in which the number…

Statistical Mechanics · Physics 2022-09-27 Francesco Andreucci , Stefano Lepri , Stefano Ruffo , Andrea Trombettoni

We study heat transport in a chain of harmonic oscillators with random elastic collisions between nearest-neighbours. The equations of motion of the covariance matrix are numerically solved for free and fixed boundary conditions. In the…

Statistical Mechanics · Physics 2010-11-10 L. Delfini , S. Lepri , R. Livi , C. Mejia-Monasterio , A. Politi

Understanding phononic heat transport processes in molecular junctions is a central issue in the developing field of nanoscale heat conduction and manipulation. Here we present a Stochastic Nonequlibrium Molecular Dynamics simulation…

Materials Science · Physics 2021-02-04 Inon Sharony , Renai Chen , Abraham Nitzan

We consider the problem of heat transport by vibrational modes (conduction) between Langevin thermostats connected by a central device. The latter is anharmonic and can be subject to large temperature differences and thus be out of…

Materials Science · Physics 2021-12-15 Keivan Esfarjani

In this article we review aspects of charge and heat transport in interacting quantum dots and molecular junctions under stationary and time-dependent non-equilibrium conditions due to finite electrical and thermal bias. In particular, we…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 F. Haupt , M. Leijnse , H. L. Calvo , L. Classen , J. Splettstoesser , M. R. Wegewijs

The energy dissipation and heat flows associated with the particle current in a system with a molecular junction are considered. In this connection, we determine the effective temperature of the molecular oscillator that is compatible with…

Mesoscale and Nanoscale Physics · Physics 2018-03-20 Jan Loos , Thomas Koch , Holger Fehske

We explore transport properties in a disordered nonlinear chain of classical harmonic oscillators and thereby identify a regime exhibiting behavior analogous to that seen in quantum many-body-localized systems. Through extensive numerical…

Statistical Mechanics · Physics 2020-08-26 Manoj Kumar , Anupam Kundu , Manas Kulkarni , David A. Huse , Abhishek Dhar

We consider the stationary states of a chain of $n$ anharmonic coupled oscillators, whose deterministic hamiltonian dynamics is perturbed by random independent sign change of the velocities (a random mechanism that conserve energy). The…

Statistical Mechanics · Physics 2015-05-28 Cedric Bernardin , Stefano Olla

We apply the hierarchical equations of motion technique to analyzing nonequilibrium heat transport in a spin-boson type model, whereby heat transfer through a central spin is mediated by an intermediate pair of coupled harmonic oscillators.…

Mesoscale and Nanoscale Physics · Physics 2024-07-29 Graeme Pleasance , Francesco Petruccione

Recent experiments at the nanoscales confirm that thermal rectifiers, the thermal equivalent of electrical diodes, can operate in the quantum regime. We present a thorough investigation of the effect of different particle exchange…

Mesoscale and Nanoscale Physics · Physics 2022-11-10 Stephania Palafox , Ricardo Román-Ancheyta , Barış Çakmak , Özgür E. Müstecaplıoğlu

We present an exact solution for the heat conductance along a harmonic chain connecting two reservoirs at different temperatures. In this model, the end points correspond to Brownian particles with different damping coefficients. Such…

Statistical Mechanics · Physics 2020-09-09 G. A. Weiderpass , Gustavo M. Monteiro , A. O. Caldeira

Metallic atomic junctions pose the ultimate limit to the scaling of electrical contacts. They serve as model systems to probe electrical and thermal transport down to the atomic level as well as quantum effects occurring in one-dimensional…

Mesoscale and Nanoscale Physics · Physics 2017-05-24 Nico Mosso , Ute Drechsler , Fabian Menges , Peter Nirmalraj , Siegfried Karg , Heike Riel , Bernd Gotsmann

We study the heat transport due to phonons in nanomechanical structures using a phase space representation of non-equilibrium Green's functions. This representation accounts for the atomic degrees of freedom making it particularly suited…

Mesoscale and Nanoscale Physics · Physics 2017-10-10 Marcone I. Sena-Junior , Leandro R. F. Lima , Caio H. Lewenkopf

We present a detailed study of the non-linear thermoelectric properties of a molecular junction, represented by a dissipative Anderson-Holstein model. A single orbital level with strong Coulomb interaction is coupled to a localized…

Mesoscale and Nanoscale Physics · Physics 2013-01-10 M. Leijnse , M. R. Wegewijs , K. Flensberg

We use nonequilibrium molecular dynamics to analyze and illustrate the qualitative differences between the one-thermostat and two-thermostat versions of equilibrium and nonequilibrium (heat-conducting) harmonic oscillators. Conservative…

Statistical Mechanics · Physics 2015-06-18 Julien Clinton Sprott , William Graham Hoover , Carol Griswold Hoover