相关论文: On Calculation of Thermal Conductivity from Einste…

The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…

We present a detailed study of thermal transport in the disordered Fermi liquid with short-range interactions. At temperatures smaller than the impurity scattering rate, i.e., in the diffusive regime, thermal conductivity acquires…

We investigate the steady state of heat conduction in general relativity using a variational approach for two-fluid dynamics. We adopt coordinates based on the Landau-Lifschitz observer because it allows us to describe thermodynamics with…

We show that two commonly used definitions for the heat current give different results--through the Kubo formula--for the heat conductivity of oscillator chains. The difference exists for finite chains, and is expected to be important more…

The Green-Kubo relation for two models of granular gases is discussed. In the Maxwell model in any dimension, the effective temperature obtained from the Green-Kubo relation is shown to be frequency independent, and equal to the average…

Molecule-electrode interfaces in molecular electronic junctions are prone to chemical reactions, structural changes, and localized heating effects caused by electric current. These can be exploited for device functionality or may be…

Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…

We present a novel ab initio non-equilibrium approach to calculate the current across a molecular junction. The method rests on a wave function based full ab initio description of the central region of the junction combined with a tight…

We present first-principles calculations of the rate of energy exchanges between electrons and ions in nonequilibrium warm dense plasmas, liquid metals and hot solids, a fundamental property for which various models offer diverging…

In this study we have derived an exact framework for the calculation of the heat flux and its spectral decomposition in Molecular Dynamics (MD) for arbitrary many-body potentials. This work addresses several lacks and limitations of…

Atomic properties of warm dense matter is an active field of research. Understanding transport properties of these states is essential for providing coefficients needed by magneto-radiative hydrodynamics codes for many studies, including…

Within the theory of interacting continua, we develop a model for a heat conducting mixture of two interacting fluids described in terms of the densities and the velocities for each fluid and the temperature field for the mixture as a…

We extend [Bru-de Siqueira Pedra-Hertling, J. Math. Phys. 56 (2015) 051901] in order to study the linear response of free fermions on the lattice within a (independently and identically distributed) random potential to a macroscopic…

We show that the centroid molecular dynamics (CMD) method provides a realistic way to calculate the thermal diffusivity $a=\lambda/\rho c_{\rm V}$ of a quantum mechanical liquid such as para-hydrogen. Once $a$ has been calculated, the…

For a circuit made of thermodynamic devices in stationary nonequilibrium, we determine the mean currents (of energy, matter, charge, etc) exchanged with external reservoirs driving the circuit out of equilibrium. Starting from the…

With the Finite temperature Density Matrix Renormalization Group method (FT-DMRG), we depeloped a method to calculate thermo-dynamical quantities and the conductance of a quantum dot system. Conductance is written by the local density of…

We demonstrate that the presence of entanglement in macroscopic bodies (e.g. solids) in thermodynamical equilibrium could be revealed by measuring heat-capacity. The idea is that if the system were in a separable state, then for certain…

In the weakly non-ideal gas model [1], the Bose-Einstein condensation at constant pressure is considered. The temperature of transition to the state with condensate is found. Temperature dependences of the total density and condensate…

According to the Green-Kubo theory of linear response, the conductivity of an electronically gapped liquid can be expressed in terms of the time correlations of the adiabatic charge flux, which is determined by the atomic velocities and…

In this study, the transport properties, such as diffusivity, viscosity, and thermal conductivity, of 4He at the gaseous phase are computed for state points in the temperature range of 10 K to 150 K and pressure range of 0.10 MPa (1 atm) to…