相关论文: Quantum thermal transport from classical molecular…
Through an exact analysis using quantum Langevin dynamics, we demonstrate the crossover from ballistic to diffusive thermal transport in a harmonic chain with each site connected to Ohmic heat reservoirs. The temperatures of the two heat…
Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential methodological components which are lacking with quantum…
By modelling quantum systems as emerging from a (classical) sub-quantum thermodynamics, the quantum mechanical "decay of the wave packet" is shown to simply result from sub-quantum diffusion with a specific diffusion coefficient varying in…
We use a Generalised Langevin Equation (GLE) scheme to study the thermal transport of low dimensional systems. In this approach, the central classical region is connected to two realistic thermal baths kept at two different temperatures [H.…
A user friendly scheme based on the quantum kinetic equation is developed for studying thermal transport phenomena in the presence of interactions and disorder. We demonstrate that this scheme is suitable for both a systematic perturbative…
We have presented a simple approach to quantum theory of Brownian motion and barrier crossing dynamics. Based on an initial coherent state representation of bath oscillators and an equilibrium canonical distribution of quantum mechanical…
We develop a Born-Oppenheimer type formalism for the description of quantum thermal transport along hybrid nanoscale objects. Our formalism is suitable for treating heat transfer in the off-resonant regime, where e.g., the relevant…
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…
A unified view on macroscopic thermodynamics and quantum transport is presented. Thermodynamic processes with an exchange of energy between two systems necessarily involve the flow of other balanceable quantities. These flows are first…
Based on generalized quantum Langevin equations for the tight-binding wave function amplitudes and lattice displacements, electron and phonon quantum transport are obtained exactly using molecular dynamics (MD) in the ballistic regime. The…
We investigate the mechanism of heat conduction in ordered and disordered harmonic onedimensional chains within the quantum mechanical Langevin method. In the case of the disordered chains we find indications for normal heat conduction…
In d-dimensional lattices of coupled quantum harmonic oscillators, we analyze the heat current caused by two thermal baths of different temperature, which are coupled to opposite ends of the lattice, with focus on the validity of Fourier's…
We present a formula for thermal transport in the bulk of Bose systems based on the quantum Boltzmann equation (QBE). First, starting from the quantum kinetic equation and using the Born approximation for impurity scattering, we derive the…
A quantum mechanical theory is developed for the statistics of momentum transferred to the lattice by conduction electrons. Results for the electromechanical noise power in the semiclassical diffusive transport regime agree with a recent…
Heat transport in spin-boson systems near the thermal equilibrium is systematically investigated. An asymptotically exact expression for the thermal conductance in a low-temperature regime wherein transport is described via a co-tunneling…
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…
We analyze the problem of directed quantum transport induced by external exponentially correlated telegraphic noise. In addition to quantum nature of the heat bath, nonlinearity of the periodic system potential brings in quantum…
A large number of multifaceted quantum transport processes in molecular systems and physical nanosystems can be treated in terms of quantum relaxation processes which couple to one or several fluctuating environments. A thermal equilibrium…
The thermal conductivity of a model for solid argon is investigated using nonequilibrium molecular dynamics methods, as well as the traditional Boltzmann transport equation approach with input from molecular dynamics calculations, both with…
This article proposes a Variational Quantum Algorithm to solve linear and nonlinear thermofluid dynamic transport equations. The hybrid classical-quantum framework is applied to problems governed by the heat, wave, and Burgers' equation in…