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Exact mechanisms of thermal conductivity in liquids are not well understood, despite rich research history. A vibrational model of energy transfer in dense simple liquids with soft pairwise interactions seems adequate to partially fill this…

Soft Condensed Matter · Physics 2024-02-06 S. A. Khrapak , A. G. Khrapak

In this study, we derive the heat flux formula for the Allegro model, one of machine-learning interatomic potentials using the equivariant deep neural network, to calculate lattice thermal conductivity using the homogeneous non-equilibrium…

Computational Physics · Physics 2024-03-22 Kohei Shimamura , Shinnosuke Hattori , Ken-ichi Nomura , Akihide Koura , Fuyuki Shimojo

Finite size consideration of matter significantly affects transport coefficients like shear viscosity, bulk viscosity, electrical conductivity, which we have investigated here in the framework of the Polyakov-Nambu-Jona-Lasinio model. Owing…

Nuclear Theory · Physics 2018-07-02 Kinkar Saha , Sabyasachi Ghosh , Sudipa Upadhaya , Soumitra Maity

Ionic conductivity is a critical property of solid ionic conductors, directly influencing the performance of energy storage devices such as batteries. However, accurately calculating ionic conductivity or diffusion coefficient remains…

Materials Science · Physics 2025-03-07 Yuxiang Gao , Xiaodong Cao , Zhicheng Zhong

We consider chains consisting of several identical subsystems weakly coupled by various types of next neighbor interactions. At both ends the chain is coupled to a respective heat bath with different temperature modeled by a Lindblad…

Statistical Mechanics · Physics 2007-05-23 Mathias Michel , Jochen Gemmer , Guenter Mahler

In a recent publication [Phys. Rev. E \textbf{83}, 011301 (2011)], Vollmayr--Lee \emph{et al.} have determined by computer simulations the thermal diffusivity and the longitudinal viscosity coefficients of a driven granular fluid of hard…

Statistical Mechanics · Physics 2015-05-28 Vicente Garzó

Transport coefficients can be obtained from 2-point correlators using the Kubo formulae. It has been shown that the full leading order result for electrical conductivity and (QCD) shear viscosity is contained in the re-summed 2-point…

High Energy Physics - Phenomenology · Physics 2011-10-07 M. E. Carrington

The transport coefficients of quark matter at non-zero chemical potential and temperature are computed within the two-flavor Nambu--Jona-Lasinio model. We apply the Kubo formalism to obtain the thermal ($\kappa$) and electrical ($\sigma$)…

Nuclear Theory · Physics 2020-06-30 Arus Harutyunyan , Dirk H. Rischke , Armen Sedrakian

We study nonlinear response in weakly coupled hot $\phi^4$ theory. We obtain an expression for a quadratic shear viscous response coefficient using two different formalisms: transport theory and response theory. The transport theory…

High Energy Physics - Phenomenology · Physics 2009-11-07 M. E. Carrington , Hou Defu , R. Kobes

The theory of transport phenomena in multicomponent electrolyte solutions is presented here through the integration of continuum mechanics, electromagnetism, and non-equilibrium thermodynamics. The governing equations of irreversible…

Statistical Mechanics · Physics 2020-11-02 Kara D. Fong , Helen K. Bergstrom , Bryan D. McCloskey , Kranthi K. Mandadapu

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

In this paper, we review and substantially develop the recently proposed "Microscopic Response Method", which has been devised to compute transport coefficients and especially associated temperature dependence in complex materials. The…

Statistical Mechanics · Physics 2023-07-19 MingLiang Zhang , D. A. Drabold

We propose an approach that can accurately predict the heat conductivity of liquid water. On the one hand, we develop an accurate machine-learned potential based on the neuroevolution-potential approach that can achieve quantum-mechanical…

Computational Physics · Physics 2023-05-30 Ke Xu , Yongchao Hao , Ting Liang , Penghua Ying , Jianbin Xu , Jianyang Wu , Zheyong Fan

Transport coefficients are of crucial importance in theoretical as well as experimental studies. Despite substantial research on classical hard sphere/disk gases in low and high density regimes, a thorough investigation of transport…

Statistical Mechanics · Physics 2020-08-04 Malihe Ghodrat

The study of heat transport in low-dimensional oscillator lattices presents a formidable challenge. Theoretical efforts have been made trying to reveal the underlying mechanism of diversified heat transport behaviors. In lack of a unified…

Statistical Mechanics · Physics 2016-05-05 Lei Wang , Nianbei Li , Peter Hanggi

Numerical methods are developed to solve the problem of abnormal changes of current (conductivity) in polymer composite films which may be used as current, pressure or temperature sensors. General nonlinear model includes the heat equation,…

Materials Science · Physics 2014-10-31 D. V. Vlasov

The existence of coefficients for diffusion, viscosity and thermal conductivity is examined for two-dimensional (2D) liquids. Equilibrium molecular dynamics simulations are performed using a Yukawa potential, and the long-time behavior of…

Fluid Dynamics · Physics 2009-11-13 Zoltan Donko , John Goree , Peter Hartmann , Bin Liu

The microscopic mechanism of thermal transport in liquids and amorphous solids has been an outstanding problem for a long time. There have been several different approaches to explain the thermal conductivities for these systems, for…

Soft Condensed Matter · Physics 2020-09-29 Qing Xi , Jinxin Zhong , Jixiong He , Xiangfan Xu , Tsuneyoshi Nakayama , Yuanyuan Wang , Jun Liu , Jun Zhou , Baowen Li

Bulk thermal conductivity estimates based on predictions from non-equilibrium molecular dynamics (NEMD) using the so-called direct method are known to be severely under-predicted since finite simulation length-scales are unable to mimic…

Computational Physics · Physics 2018-07-13 Manav Vohra , Ali Yousefzadi Nobakht , Seungha Shin , Sankaran Mahadevan

We illustrate how to calculate the finite-temperature linear-response conductance of quantum impurity models from the Matsubara Green function. A continued fraction expansion of the Fermi distribution is employed which was recently…

Strongly Correlated Electrons · Physics 2015-05-19 C. Karrasch , V. Meden , K. Schönhammer