相关论文: Nonequilibrium phonon mean free paths in anharmoni…

The subject of thermal transport at the mesoscopic scale and in low-dimensional systems is interesting for both fundamental research and practical applications. As the first example of truly two-dimensional materials, graphene has…

We here introduce a Fortran code that computes anharmonic free energy of solids from first-principles based on our phonon quasiparticle approach. In this code, phonon quasiparticle properties, i.e., renormalized phonon frequencies and…

Anharmonic inter-atomic potential x to power of n, n>1, has been used in molecular dynamics (MD) simulations of stress dynamics of FCC oriented crystal. The model of the chain of masses and springs is found as a convenient and accurate…

Ultrafast perturbations offer a unique tool to manipulate correlated systems due to their ability to promote transient behaviors with no equilibrium counterpart. A widely employed strategy is the excitation of coherent optical phonons, as…

We investigate the dynamics of a macroscopic system which consists of an anharmonic subsystem embedded in an arbitrary harmonic lattice, including quenched disorder. Elimination of the harmonic degrees of freedom leads to a nonlinear…

The phonon thermal transport properties of eight ternary intermetallic semiconductors are investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. The commonly used…

With the rapidly increasing integration density and power density in nanoscale electronic devices, the thermal management concerning heat generation and energy harvesting becomes quite crucial. Since phonon is the major heat carrier in…

Phonon reflection and transmission at the interfaces plays a fundamental role in cryogenic particle detectors, in which the optimization of the phonon signal at the sensor (in case of phonon-mediated detectors) or the minimization of the…

We use a hybrid strategy to obtain anharmonic frequency shifts and lifetimes of phonon quasi-particles from first principles molecular dynamics simulations in modest size supercells. This approach is effective irrespective of crystal…

We discuss the thermoelectric properties assisted by the Fano effect of a parallel double quantum dot (QD) structure. By adjusting the couplings between the QDs and leads, we facilitate the nonresonant and resonant channels for the Fano…

It is well known that the contribution of harmonic phonons to the thermal conductivity of 1D systems diverges with the harmonic chain length $L$ (explicitly, increases with $L$ as a power-law with a positive power). Furthermore, within…

Interfacial thermal resistance has been often estimated and understood using the Landauer formalism that assumes incident phonons with equilibrium distribution. However, previous studies suggest that phonons are out-of-equilibrium near the…

Motivated by recent experiments, we present here a systematic ab-initio study of the length dependence of the thermal conductance of single-molecule junctions. We make use of a combination of density functional theory with non-equilibrium…

Metal-organic Frameworks (MOFs) have emerged as potential candidates for direct air capture (DAC) of green house gases and water. Thermal properties of MOFs, such as their heat capacity, are used to determine the energy penalty associated…

We report on the diffusive-ballistic thermal conductance of multi-moded single-crystal silicon beams measured below 1 K. It is shown that the phonon mean-free-path $\ell$ is a strong function of the surface roughness characteristics of the…

Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…

Evaluating the linear response of a driven system to a change in environment temperature(s) is essential for understanding thermal properties of nonequilibrium systems. The system is kept in weak contact with possibly different fast…

We theoretically investigate the thermal boundary conductance across metal-nonmetal interfaces in the presence of the electron-phonon coupling not only in metal but also at interface. The thermal energy can be transferred from metal to…

We show how the coupling between the phonons and electrons in a strongly correlated metal can result in phonon frequencies which have a non-monotonic temperature dependence. Dynamical mean-field theory is used to study the Hubbard-Holstein…

This paper presents an experimental study of the influence of heat losses on the onset of thermoacoustic instabilities in methane-air premixed flames propagating in a horizontal tube of small diameter, $D = 10$ mm. Flames are ignited at the…