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Related papers: Gauge invariance of thermal transport coefficients

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In this work we elaborate on two recently discovered invariance principles, according to which transport coefficients are, to a large extent, independent of the microscopic definition of the densities and currents of the conserved…

Statistical Mechanics · Physics 2021-07-20 Federico Grasselli , Stefano Baroni

In this work I revisit the notion of gauge invariance in thermal transport and show, in the simplest and most general possibile terms, why heat conductivity is unaffected by the specific choice of energy density. I provide the minimal and…

Statistical Mechanics · Physics 2025-12-15 Stefano Baroni

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…

Statistical Mechanics · Physics 2018-08-20 Stefano Baroni , Riccardo Bertossa , Loris Ercole , Federico Grasselli , Aris Marcolongo

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…

Statistical Mechanics · Physics 2019-09-30 Riccardo Bertossa , Federico Grasselli , Loris Ercole , Stefano Baroni

Thermal and other transport coefficients were recently shown to be largely independent of the microscopic representation of the energy (current) densities or, more generally, of the relevant conserved densities/currents. In this paper we…

Computational Physics · Physics 2020-04-08 Aris Marcolongo , Loris Ercole , Stefano Baroni

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…

Materials Science · Physics 2019-07-23 Federico Grasselli , Stefano Baroni

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…

Statistical Mechanics · Physics 2007-05-23 M. H. Ernst , R. Brito

The transport coefficients of the Anderson model are calculated by extending Wilson's NRG method to finite temperature Green's functions. Accurate results for the frequency and temperature dependence of the single--particle spectral…

Condensed Matter · Physics 2009-10-22 T. A. Costi , A. C. Hewson , V. Zlatic

The thermal conductivity is calculated with the Helfand-moment method in the Lennard-Jones fluid near the triple point. The Helfand moment of thermal conductivity is here derived for molecular dynamics with periodic boundary conditions.…

Statistical Mechanics · Physics 2007-05-23 S. Viscardy , J. Servantie , P. Gaspard

We present a generalization of the Green-Kubo expressions for thermal transport coefficients $\mu$ in complex fluids of the generic form, $\mu= \mu_\infty +\int^\infty_0 dt V^{-1} < J_\epsilon \exp(t {\cal L}) J >_0$, i.e. a sum of an…

Statistical Mechanics · Physics 2007-05-23 M. H. Ernst , R. Brito

The transport coefficients for a gas of smooth, inelastic hard spheres are obtained from the Boltzmann equation in the form of Green-Kubo relations. The associated time correlation functions are not simply those constructed from the fluxes…

Statistical Mechanics · Physics 2015-06-24 James W. Dufty , J. Javier Brey

Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…

Plasma Physics · Physics 2012-05-04 Bastian Holst , Martin French , Ronald Redmer

A thermodynamic framework that predicts the thermal conductivity $\lambda$ of simple fluids beyond the dilute-gas limit is introduced. By generalizing the transition-rate approach of particles on a lattice to conserved quantities in…

Statistical Mechanics · Physics 2025-12-03 Miguel Hoyuelos

Transport theory describes the response of a macroscopic current to a thermodynamic force, thus producing entropy and apparently violating time-reversal symmetry. In this note I report a pedagogical derivation of the Green-Kubo formula for…

Statistical Mechanics · Physics 2024-12-17 Stefano Baroni

The widely used linear-response (LR) theory of thermal conduction in the quantum regime rests on the yet unproven assumption, that the thermal conductivity is invariant with respect to the gauge of the energy density of the system. This…

Materials Science · Physics 2022-10-14 Axel Hübner , Santiago Rigamonti , Claudia Draxl

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…

Statistical Mechanics · Physics 2009-03-04 Giada Basile , Cedric Bernardin , Stefano Olla

A microscopic formalism to calculate thermal transport coefficients is presented based on a thermal vector potential, whose time-derivative is related to a thermal force. The formalism is free from unphysical divergences reported to arise…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Gen Tatara

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…

Nuclear Theory · Physics 2016-04-27 T. E Nemakhavhani , A. Muronga

Equilibrium molecular dynamics simulations, in combination with the Green-Kubo (GK) method, have been extensively used to compute the thermal conductivity of liquids. However, the GK method relies on an ambiguous definition of the…

Computational Physics · Physics 2020-09-30 Bingqing Cheng , Daan Frenkel

We introduce a $d$-dimensional system of charged harmonic oscillators in a magnetic field perturbed by a stochastic dynamics which conserves energy but not momentum. We study the thermal conductivity via the Green-Kubo formula, focusing on…

Probability · Mathematics 2018-08-08 Keiji Saito , Makiko Sasada
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