相关论文: Thermal conductivity for coupled charged harmonic …
We introduce a model whose thermal conductivity diverges in dimension 1 and 2, while it remains finite in dimension 3. We consider a system of oscillators perturbed by a stochastic dynamics conserving momentum and energy. We compute thermal…
We consider a $d$-dimensional disordered harmonic chain (DHC) perturbed by an energy conservative noise. We obtain uniform in the volume upper and lower bounds for the thermal conductivity defined through the Green-Kubo formula. These…
The calculations of thermal conductivity requires to know anharmonic properties of the crystal. For this purpose a non-perturbative anharmonic theory is applied, which do not make use of the potential energy expansion over atomic…
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 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…
We study the Green-Kubo (GK) formula $\kappa (\varepsilon, \xi)$ for the heat conductivity of an infinite chain of $d$-dimensional finite systems (cells) coupled by a smooth nearest neighbour potential $\varepsilon V$. The uncoupled systems…
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…
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 investigate the thermal conductivity of the classical Heisenberg spin chain coupled to a variety of phonon systems using a Green-Kubo approach as well as coupling to heat reservoirs. The decay of energy current correlations is power law…
Anomalous large thermal conductivity has been observed numerically and experimentally in one and two dimensional systems. All explicitly solvable microscopic models proposed to date did not explain this phenomenon and there is an open…
In crystalline materials, low lattice thermal conductivity is often associated with strong anharmonicity, which can cause significant deviations from the expected Lorentzian lineshape of phonon spectral functions. These deviations,…
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…
The calculation of thermal conductivity in insulating solids at temperatures below the Debye temperature is problematic, due to the breakdown of classical and semi-classical approaches. In this work, we present a fully quantum methodology…
The thermal conductivity of classical multi-component fluids is seemingly affected by the intrinsic arbitrariness in the definition of the atomic energies and it is ill-conditioned numerically, when evaluated from the Green-Kubo theory of…
Equilibrium molecular dynamics (EMD) simulations through Green-Kubo formula (GKF) have been widely used in the study of thermal conductivity of various materials. However, there exist controversial simulation results which have huge…
We derive a formula for the thermal conductivity tensor of a ballistic phonon Hall model. It is found that, although the diagonal elements of the conductivity tensor diverge to infinite, the off-diagonal elements are finite,antisymmetric,…
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 consider a class of stochastic models for energy transport and study relations between the thermal conductivity and some static observables, such as the static conductivity, which is defined as the contribution of static correlations in…
We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behavior of the thermal conductivity as a function of the system length is investigated, using Green's function…
The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal…