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We investigate the heat conduction properties of molecular junctions comprising anharmonic interactions. We find that nonlinear interactions can lead to novel phenomena: it negative differential thermal conductance and heat rectification.…

Soft Condensed Matter · Physics 2009-11-11 Dvira Segal

We present a unified description of heat flow in two-terminal hybrid quantum systems. Using simple models, we analytically study nonlinear aspects of heat transfer between various reservoirs: metals, solids, and spin baths, mediated by the…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Lian-Ao Wu , Claire X. Yu , Dvira Segal

We study charge and energy transfer in two-site molecular electronic junctions in which electron transport is assisted by a vibrational mode. To understand the role of mode harmonicity/anharmonicity on transport behavior, we consider two…

Mesoscale and Nanoscale Physics · Physics 2015-09-01 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

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

Thermal transport through nanosystems is central to numerous processes in chemistry, material sciences, electrical and mechanical engineering, with classical molecular dynamics as the key simulation tool. Here we focus on thermal junctions…

Mesoscale and Nanoscale Physics · Physics 2020-08-31 Na'im Kalantar , Bijay Kumar Agarwalla , Dvira Segal

We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady…

Mesoscale and Nanoscale Physics · Physics 2012-05-28 Juzar Thingna , J. L. García-Palacios , Jian-Sheng Wang

We study full counting statistics for classical heat transport through anharmonic/nonlinear molecular junctions formed by interacting oscillators. Analytical result of the steady state heat flux for an overdamped anharmonic junction with…

Statistical Mechanics · Physics 2013-03-13 Sha Liu , Bjiay Kumar Agarwalla , Jian-Sheng Wang , Baowen Li

We study full counting statistics for transferred heat and entropy production between multi-terminal systems in absence of a finite junction. The systems are modelled as collections of coupled harmonic oscillators which are kept at…

Statistical Mechanics · Physics 2015-06-16 Bijay Kumar Agarwalla , Huanan Li , Baowen Li , Jian-Sheng Wang

We consider a stochastic heat conduction model for solids composed by N interacting atoms. The system is in contact with two heat baths at different temperature $T_\ell$ and $T_r$. The bulk dynamics conserve two quantities: the energy and…

Statistical Mechanics · Physics 2009-11-13 Cedric Bernardin

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 review studies of vibrational energy transfer in a molecular junction geometry, consisting of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup is of interest for applications in molecular…

Mesoscale and Nanoscale Physics · Physics 2016-06-22 Dvira Segal , Bijay Kumar Agarwalla

We perform classical non-equilibrium molecular dynamics simulations to calculate heat flow through a microscopic junction connecting two larger reservoirs. In contrast to earlier works, we also include the reservoirs in the simulated region…

Computational Physics · Physics 2012-09-14 K. Sääskilahti , J. Oksanen , R. P. Linna , J. Tulkki

We study the statistical properties of charge and energy transport in electron conducting junctions with electron-phonon interactions, specifically, the thermoelectric efficiency and its fluctuations. The system comprises donor and acceptor…

Statistical Mechanics · Physics 2016-01-20 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

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

Fluctuations are strong in mesoscopic systems and have to be taken into account for the description of transport. We show that they can even be used as a resource for the operation of a system as a device. We use the physics of…

Mesoscale and Nanoscale Physics · Physics 2017-06-07 Rafael Sánchez , Holger Thierschmann , Laurens W. Molenkamp

Thermoelectric devices at the nanoscale offer promising routes for on-chip refrigeration and waste-heat recovery, yet most semiconductor-based implementations suffer from limited tunability and narrow operational ranges. We introduce a…

Mesoscale and Nanoscale Physics · Physics 2025-08-29 Phillip Mercebach , Sun-Yong Hwang , Bo Lu , Björn Sothmann , Yukio Tanaka , Pablo Burset

We study the effect of non-Markovian reservoirs on the heat conduction properties of short to intermediate size molecular chains. Using classical molecular dynamics simulations, we show that the distance dependence of the heat current is…

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

A tunable and balanced heat interferometer is proposed and analyzed. The device consists of two superconductors linked together to form a double-loop interrupted by three Josephson junctions coupled in parallel. Both superconductors are…

Superconductivity · Physics 2015-06-11 M. J. Martinez-Perez , F. Giazotto

We study current-induced vibrational cooling, heating, and instability in a donor-acceptor rectifying molecular junction using a full counting statistics approach. In our model, electron-hole pair excitations are coupled to a given…

Mesoscale and Nanoscale Physics · Physics 2017-08-23 L. Simine , D. Segal

We address the problem of heat conduction in 1-D nonlinear chains; we show that, acting on the parameter which controls the strength of the on site potential inside a segment of the chain, we induce a transition from conducting to…

Statistical Mechanics · Physics 2009-11-07 M. Terraneo , M. Peyrard , G. Casati
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