Related papers: Computation of the thermal conductivity using clas…
In this essay, we first sketch the development of ideas on the extraordinary dynamics of integrable classical nonlinear and quantum many body Hamiltonians. In particular, we comment on the state of mathematical techniques available for…
In the past few years, the theory of thermal transport in amorphous solids has been substantially extended beyond the Allen-Feldman model. The resulting formulation, based on the Green-Kubo linear response or the Wigner-transport equation,…
We use the fundamental nonequilibrium steady-state fluctuation symmetry and derive a condition on the validity of the thermodynamic uncertainty relation (TUR) in thermal transport problems, classical or quantum alike. We test this condition…
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…
Despite governing heat management in any realistic device, the microscopic mechanisms of heat transport in all-solid-state electrolytes are poorly known: existing calculations, all based on simplistic semi-empirical models, are unreliable…
Within the frames of the analytical mechanics the method of the description of dynamics of nonequilibrium systems of potentially interacting elements is develops. The method is based on an opportunity of representation of nonequilibrium…
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…
We study non-equilibrium quantum transport of spin, heat, and charge in diffusive heterostructures including both superconductors and materials with spin-dependent fields, such as textured ferromagnets and spin-orbit coupled materials.…
The earliest molecular dynamics simulations relied on solving the Newtonian or equivalently the Hamiltonian equations of motion for a system. While pedagogically very important as the total energy is preserved in these simulations, they…
In this work, we aim to study the thermal properties of materials using classical molecular dynamics simulations and specialized numerical methods. We focus primarily on the thermal conductivity \kappa using non-equilibrium molecular…
Understanding and controlling heat transport in molecular junctions would provide new routes to design nanoscale coupled electronic and phononic devices. Using first principles full quantum calculations, we tune thermal conductance of a…
Magnetic memory and logic devices, including prospective ones based on skyrmions, inevitably produce heat. Thus, controlling heat flow is essential for their performance. Here we study how non-collinear spin arrangement affects the magnon…
This work aims to understand how quantum mechanics affects heat transport at low temperatures. In the classical setting, by considering a simple paradigmatic model, our simulations reveal the emergence of Negative Differential Thermal…
We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model…
An ongoing problem in the study of a classical many-body system is the characterization of its equilibrium behaviour by theory or numerical simulation. For purely repulsive particles, locating the melting line in the pressure-temperature…
The thermal conductivity of graphene nanoribbons (layer from 1 to 8 atomic planes) is investigated by using the nonequilibrium molecular dynamics method. We present that the room-temperature thermal conductivity decays monotonically with…
We calculate the electronic contribution to the thermal conductance in a quantum dot that is weakly coupled via tunnel barriers to two electrons reservoirs. A linear response model is derived for the calculation of the heat current Q…
In aluminium electrolysis cells, a ledge of frozen electrolyte is formed, attached to the sides of the cell. The control of the side ledge thickness is essential in ensuring a reasonable lifetime for the cells. Numerical modelling of the…
We clarify some aspects of the calculation of the thermal transport coefficients. For a tight-binding Hamiltonian we discuss the approximate nature of the charge current and the thermal current obtained by Peierls substitution which is also…
The non-Markoffian transport equations for the systems of cold Bose atoms confined by a external potential both without and with a Bose-Einstein condensate are derived in the framework of nonequilibrium thermal filed theory (Thermo Field…