Related papers: Environment dependent vibrational heat transport i…
Problems of heat transport are ubiquitous to various technologies such as power generation, cooling, electronics, and thermoelectrics. In this paper we advocate for the application of the quantum self-consistent reservoir method, which is…
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…
We expand iterative numerically-exact influence functional path-integral tools and present a method capable of following the nonequilibrium time evolution of subsystems coupled to multiple bosonic and fermionic reservoirs simultaneously.…
The time-periodic modulation of a temperature gradient can alter the heat transport properties of a physical system. Oscillating thermal gradients give rise to behaviors such as modified thermal conductivity and controllable time-delayed…
The traditional picture of heat transfer in solids by atomic vibrations, also known as phonons, involves phonons scattering with each other like gas particles and is commonly referred to as the phonon gas model (PGM). This physical picture…
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.…
Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
We address the problem of heat transport in a chain of coupled quantum harmonic oscillators, exposed to the influences of local environments of various nature, stressing the effects that the specific nature of the environment has on the…
The understanding of heat transport in nonequilibrium thermodynamics is an important research frontier, which is crucial for implementing novel thermodynamic devices, such as heat engines and refrigerators. The convection, conduction, and…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
We study thermal transport through Pt nanowires that bridge planar contacts as a function of wire length and vibrational frequency of the contacts. When phonons in the contacts have lower average frequencies than those in the wires thermal…
Within the emerging field of quantum thermodynamics the issues of heat transfer and heat rectification are basic ingredients for the understanding and design of heat engines or refrigerators at nanoscales. Here, a consistent and versatile…
Modeling of thermal transport in practical nanostructures requires making trade-offs between the size of the system and the completeness of the model. We study quantum heat transfer in a self-consistent thermal bath setup consisting of two…
Thermal conductance of single molecular junctions at room temperature has been measured recently using picowatt-resolution scanning probes. However, fully understanding thermal transport in a much wider temperature range is needed for the…
We describe a numerical scheme for exactly simulating the heat current behavior in a quantum harmonic chain with self-consistent reservoirs. Numerically-exact results are compared to classical simulations and to the quantum behavior under…
Heat transport in open quantum systems is particularly susceptible to the modeling of system-reservoir interactions. It thus requires to consistently treat the coupling between a quantum system and its environment. While perturbative…
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…
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…
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…