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We consider the motion of many confined billiard balls in interaction and discuss their transport and chaotic properties. In spite of the absence of mass transport, due to confinement, energy transport can take place through binary…

Chaotic Dynamics · Physics 2009-08-29 Pierre Gaspard , Thomas Gilbert

One-dimensional billiard, i.e. a chain of colliding particles with equal masses, is well-known example of completely integrable system. Billiards with different particles are generically not integrable, but still exhibit divergence of a…

Statistical Mechanics · Physics 2016-12-21 O. V. Gendelman , A. V. Savin

This paper studies a billiards-like microscopic heat conduction model, which describes the dynamics of gas molecules in a long tube with thermalized boundary. We numerically investigate the law of energy exchange between adjacent cells. A…

Dynamical Systems · Mathematics 2018-08-27 Yao Li , Lingchen Bu

We obtain an exact Green-Kubo type linear response result for the heat current in an open system. The result is derived for classical Hamiltonian systems coupled to heat baths. Both lattice models and fluid systems are studied and several…

Statistical Mechanics · Physics 2009-11-13 Anupam Kundu , Abhishek Dhar , Onuttom Narayan

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…

Materials Science · Physics 2024-02-01 Enrico Drigo , Maria Grazia Izzo , Stefano Baroni

We consider the three-dimensional dynamics of systems of many interacting hard spheres, each individually confined to a dispersive environment, and show that the macroscopic limit of such systems is characterized by a coefficient of heat…

Statistical Mechanics · Physics 2014-12-02 Pierre Gaspard , Thomas Gilbert

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

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

We study heat transport in a class of stochastic energy exchange systems that characterize the interactions of networks of locally trapped hard spheres under the assumption that neighbouring particles undergo rare binary collisions. Our…

Statistical Mechanics · Physics 2009-08-28 Pierre Gaspard , Thomas Gilbert

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

We study heat conduction in a harmonic crystal whose bulk dynamics is supplemented by random reversals (flips) of the velocity of each particle at a rate $\lambda$. The system is maintained in a nonequilibrium stationary state(NESS) by…

Statistical Mechanics · Physics 2011-02-17 Abhishek Dhar , Joel Lebowitz , Venkateshan Kannan

We investigate the stationary nonequilibrium states of a quasi one-dimensional system of heavy particles whose interaction is mediated by purely elastic collisions with light particles, in contact at the boundary with two heat baths with…

Statistical Mechanics · Physics 2009-11-10 Christian Gruber , Annick Lesne

We introduce a novel approach to model heat transport in solids, based on the Green-Kubo theory of linear response. It naturally bridges the Boltzmann kinetic approach in crystals and the Allen-Feldman model in glasses, leveraging…

Materials Science · Physics 2019-09-11 Leyla Isaeva , Giuseppe Barbalinardo , Davide Donadio , Stefano Baroni

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…

Materials Science · Physics 2024-06-18 Davide Tisi , Federico Grasselli , Lorenzo Gigli , Michele Ceriotti

The paper considers heat conduction in a model chain of composite particles with hard core and elastic external shell. Such model mimics three main features of realistic interatomic potentials - hard repulsive core, quasilinear behavior in…

Statistical Mechanics · Physics 2015-08-13 V. Zolotarevskiy , A. V. Savin , O. V. Gendelman

This report reviews recent progress in computing Kubo formulas for general interacting Hamiltonians. The aim is to calculate electric and thermal magneto-conductivities in strong scattering regimes where Boltzmann equation and Hall…

Strongly Correlated Electrons · Physics 2024-10-04 Assa Auerbach , Sauri Bhattacharyya

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

We study the heat transport properties of a chain of coupled quantum harmonic oscillators in contact at its ends with two heat reservoirs at distinct temperatures. Our approach is based on the use of an evolution equation for the density…

Statistical Mechanics · Physics 2017-04-26 Mario J. de Oliveira

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

We analyse the process of energy exchanges generated by the elastic collisions between a point-particle, confined to a two-dimensional cell with convex boundaries, and a `piston', i.e. a line-segment, which moves back and forth along a…

Dynamical Systems · Mathematics 2016-08-29 Péter Bálint , Thomas Gilbert , Péter Nándori , Domokos Szász , Imre Péter Tóth
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