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Kubo formulas for Hall, transverse thermoelectric and thermal Hall conductivities are simplified into on-shell commutators of degeneracy projected polarizations. The new expressions are computationally economical, and apply to general…

Strongly Correlated Electrons · Physics 2022-02-02 Noga Bashan , Assa Auerbach

We consider a chain composed of $N$ coupled harmonic oscillators in contact with heat baths at temperature $T_\ell$ and $T_r$ at sites 1 and $N$ respectively. The oscillators are also subjected to non-momentum conserving bulk stochastic…

Statistical Mechanics · Physics 2015-05-30 Cedric Bernardin , Venkateshan Kannan , Joel L. Lebowitz , Jani Lukkarinen

We investigate the effect of strain and isotopic disorder on thermal transport in suspended graphene by equilibrium molecular dynamics simulations. We show that the thermal conductivity of unstrained graphene, calculated from the…

Materials Science · Physics 2013-08-08 Luiz Felipe C. Pereira , Davide Donadio

This paper is devoted to the homogenization of the heat conduction equation, with a homogeneous Dirichlet boundary condition, having a periodically oscillating thermal conductivity and a vanishing volumetric heat capacity. A homogenization…

Analysis of PDEs · Mathematics 2019-06-06 Tatiana Danielsson , Pernilla Johnsen

Semiconducting alloys, in particular SiGe, have been employed for several decades as high-temperature thermoelectric materials. Devising strategies to reduce their thermal conductivity may provide a substantial improvement in their…

Materials Science · Physics 2024-08-12 Alfredo Fiorentino , Paolo Pegolo , Stefano Baroni , Davide Donadio

An efficient order$-N$ real-space Kubo approach is developed for the calculation of the thermal conductivity of complex disordered materials. The method, which is based on the Chebyshev polynomial expansion of the time evolution operator…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Wu Li , Haldun Sevincli , Stephan Roche , Gianaurelio Cuniberti

We consider the harmonic chain of oscillators with self-consistent stochastic reservoirs and give a new proof for the finitude of its thermal conductivity in the steady state. The approach, with involves an integral representation for the…

Statistical Mechanics · Physics 2009-11-13 Ricardo Falcao , Antônio Francisco Neto , Emmanuel Pereira

We consider the stationary states of a chain of $n$ anharmonic coupled oscillators, whose deterministic hamiltonian dynamics is perturbed by random independent sign change of the velocities (a random mechanism that conserve energy). The…

Statistical Mechanics · Physics 2015-05-28 Cedric Bernardin , Stefano Olla

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…

Materials Science · Physics 2025-01-31 Aloïs Castellano , J. P. Alvarinhas Batista , Olle Hellman , Matthieu J. Verstraete

Analyses of thermal diffusivity data on complex insulators and on strongly correlated electron systems hosted in similar complex crystal structures suggest that quantum chaos is a good description for thermalization processes in these…

Strongly Correlated Electrons · Physics 2020-01-14 Jiecheng Zhang , Erik D. Kountz , Kamran Behnia , Aharon Kapitulnik

We consider a purely harmonic chain of oscillators which is perturbed by a stochastic noise. Under this perturbation, the system exhibits two conserved quantities: the volume and the energy. At the level of the hydrodynamic limit, under…

Probability · Mathematics 2025-05-16 Patrícia Gonçalves , Kohei Hayashi , João Pedro Mangi

We used molecular dynamics simulations, the Green-Kubo Modal Analysis (GKMA) method and sonification to study the modal contributions to thermal conductivity in individual polythiophene chains. The simulations suggest that it is possible to…

Soft Condensed Matter · Physics 2017-11-01 Wei Lv , Michael Winters , Gil Weinberg , Asegun Henry

We investigate heat transport in one-dimensional harmonic chains with mass disorder and weak bond disorder, coupled at both ends to oscillator heat baths through weak impedance mismatches. The model incorporates correlations in mass…

Statistical Mechanics · Physics 2026-01-15 I. F. Herrera-González

Heat conduction of one-dimensional chain of equivalent rigid particles in the field of external on-site potential is considered. Zero diameters of the particles correspond to exactly integrable case with divergent heat conduction…

Condensed Matter · Physics 2009-11-10 O. V. Gendelman , A. V. Savin

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…

Materials Science · Physics 2025-09-16 C. Ugwumadu , A. Gautam , Y. G. Lee , D. A. Drabold

We study heat conduction in quantum disordered harmonic chains connected to general heat reservoirs which are modeled as infinite collection of oscillators. Formal exact expressions for the thermal current are obtained and it is shown that,…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Abhishek Dhar

We study the effects of disorder on strongly coupled compressible matter in 2+1 dimensions. Our system consists of a D3/D5 intersection at finite temperature and in the presence of a disordered chemical potential. We first study the impact…

High Energy Physics - Theory · Physics 2016-08-24 Mario Araujo , Daniel Arean , Javier M. Lizana

The quantum capacity of thermal noise channel is studied. The extremal input state is obtained at the postulation that the coherent information is convex or concave at its vicinity. When the input energy tends to infinitive, it is verified…

Quantum Physics · Physics 2007-05-23 Xiao-yu Chen

We propose an efficient scheme, which combines density functional theory (DFT) with deep potentials (DP), to systematically study the convergence issues of the computed electronic thermal conductivity of warm dense Al (2.7 g/cm$^3$,…

Computational Physics · Physics 2024-06-19 Qianrui Liu , Junyi Li , Mohan Chen

We calculate the conductivity of a clean graphene sheet at finite temperatures starting from the tight-binding model. We obtain a finite value for the dc-conductivity at zero temperature. For finite temperature, the spontaneous…

Mesoscale and Nanoscale Physics · Physics 2008-07-04 N. M. R. Peres , T. Stauber