Related papers: Exact time-averaged thermal conductance for small …
We herein present a first-principles formulation of the Green-Kubo method that allows the accurate assessment of the non-radiative thermal conductivity of solid semiconductors and insulators in equilibrium ab initio molecular dynamics…
The evaluation of transport coefficients in extended systems, such as thermal conductivity or shear viscosity, is known to require impractically long simulations, thus calling for a paradigm shift that would allow to deploy state-of-the-art…
The Green-Kubo theory of thermal transport has long be considered incompatible with modern simulation methods based on electronic-structure theory, because it is based on such concepts as energy density and current, which are ill-defined at…
New results obtained for thermal conduction in 2D Yukawa systems. The results of numerical study of heat transfer processes for quasi equilibrium systems with parameters close to conditions in laboratory experiments with dusty plasma are…
A finite Green-Kubo thermal conductivity in a one-dimensional momentum conserving system was reported recently by Garrido et al [Phys. Rev. Lett., vol. 86, 5486 (2001)]. We first comment on the apparent contradiction with an earlier result…
A generalized Green-Kubo formula is derived for a quantum dissipative system of driven Brownian particle, in which the coupling between the system and the environment is linear. The structure is essentially the same as that for the…
We investigate how the normal energy transport is realized in one-dimensional quantum systems using a quantum spin system. The direct investigation of local energy distribution under thermal gradient is made using the quantum master…
Thermal transport coefficients are independent of the specific microscopic expression for the energy density and current from which they can be derived through the Green-Kubo formula. We discuss this independence in terms of a kind of gauge…
We present generalized Green-Kubo expressions for thermal transport coefficients $\mu$ in non-conservative fluid-type systems, of the generic form, $\mu$ $= \mu_\infty$ $+\int^\infty_0 dt V^{-1} \av{I_\epsilon \exp(t {\cal L}) I}_0$ where…
We present a method, based on the classical Green-Kubo theory of linear response, to compute the heat conductivity of extended systems, leveraging energy-density, rather than energy-current, fluctuations, thus avoiding the need to devise an…
We address the question of whether transport coefficients obtained from a unitary closed system setting, i.e., the standard equilibrium Green-Kubo formula, are the same as the ones obtained from a weakly driven nonequilibrium steady-state…
The influence of the environment in the thermal equilibrium properties of a bipartite continuous variable quantum system is studied. The problem is treated within a system-plus-reservoir approach. The considered model reproduces the…
In equilibrium molecular dynamics, Einstein relation can be used to calculate the thermal conductivity. This method is equivalent to Green-Kubo relation and it does not require a derivation of an analytical form for the heat current.…
Thermal conductivity of hadron matter is studied using a microscopic transport model, which will be used to simulate ultra-relativistic heavy ion collisions at different energy densities, namely the Ultra-relativistic Quantum Molecular…
Starting from the stochastic thermodynamics description of two coupled underdamped Brownian particles, we showcase and compare three different coarse-graining schemes leading to an effective thermodynamic description for the first of the…
Using a time-averaging technique we obtain exactly the probability distribution for position and velocity of a Brownian particle under the influence of two heat baths at different temperatures. These baths are expressed by a white noise…
We consider energy (heat) transport in quantum systems, and establish a relationship between energy spread and energy current-current correlation function. The energy current-current correlation is related to thermal conductivity by the…
In this paper we describe a spatial decomposition of the thermal conductivity, what we name "site-projected thermal conductivity", a gauge of the thermal conduction activity at each site. The method is based on the Green-Kubo formula and…
We re-derive the expression for the heat current for a classical system subject to periodic boundary conditions and show that it can be written as a sum of two terms. The first term is a time derivative of the first moment of the system…
Real thermal motion of gas molecules, free electrons, etc., at long time intervals (much greater than mean free-flight time) possesses, contrary to its popular mathematical models, essentially non-Gaussian statistics. A simple proof of this…