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Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity, and thermal conductivity for 38 different dipolar two-center Lennard-Jones fluids along the bubble…

化学物理 · 物理学 2009-06-18 G. A. Fernandez , J. Vrabec , H. Hasse

Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-atom type. They were developed in preceding work using…

化学物理 · 物理学 2009-06-10 Gabriela Guevara-Carrion , Carlos Nieto-Draghi , Jadran Vrabec , Hans Hasse

We present a theoretical study of transport properties of a liquid comprised of particles uist1:/home/sokrates/egorov/oldhome/Pap41/Submit > m abs.tex We present a theoretical study of transport properties of a liquid comprised of particles…

软凝聚态物质 · 物理学 2015-05-18 Lindsey Ann Shall , Sergei A. Egorov

In this work, we have calculated self-diffusion and shear viscosity, two of the most important transport properties, of the spherical square-well (SW) fluid interacting with potential range $\lambda = 1.5 \, \sigma$. To this end, we have…

软凝聚态物质 · 物理学 2024-08-27 Iván M. Zerón , Marina Cueto-Mora , Felipe J. Blas

It is demonstrated that properly reduced transport coefficients (self-diffusion, shear viscosity, and thermal conductivity) of Lennard-Jones fluids along isotherms exhibit quasi-universal scaling on the density divided by its value at the…

软凝聚态物质 · 物理学 2021-09-30 S. A. Khrapak , A. G. Khrapak

The reverse perturbation method [Phys. Rev. E 59, 4894 (1999)] for shearing simple liquids and measuring their viscosity is extended to the Vicsek-model (VM) of active particles [Phys. Rev. Lett. 75, 1226 (1995)] and its metric-free…

软凝聚态物质 · 物理学 2019-10-23 Arash Nikoubashman , Thomas Ihle

We study heat conduction and momentum transport in the context of stochastic fluid dynamics. We consider a fluid described by model H in the classification of Hohenberg and Halperin. We study both non-critical and critical fluids, and we…

核理论 · 物理学 2025-12-03 Chandrodoy Chattopadhyay , Josh Ott , Thomas Schaefer , Vladimir V. Skokov

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…

统计力学 · 物理学 2019-09-30 Riccardo Bertossa , Federico Grasselli , Loris Ercole , Stefano Baroni

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…

统计力学 · 物理学 2019-09-30 Loris Ercole , Aris Marcolongo , Stefano Baroni

Transport coefficients, such as the diffusion coefficient and shear viscosity, are important material properties that are calculated in computer simulations. In this study, the criterion for the best estimation of viscosity, as an example…

计算物理 · 物理学 2023-06-05 Xin Liu , Xuhong Guo , Qi Liao

We study the contribution of advection by thermal velocity fluctuations to the effective diffusion coefficient in a mixture of two identical fluids. The steady-state diffusive flux in a finite system subject to a concentration gradient is…

介观与纳米尺度物理 · 物理学 2015-05-27 A. Donev , A. de la Fuente , J. B. Bell , A. L. Garcia

Shear and bulk viscosity and thermal conductivity for argon, krypton, xenon, and methane and the binary mixtures argon+krypton and argon+methane were determined by equilibrium molecular dynamics with the Green-Kubo method. The fluids were…

化学物理 · 物理学 2009-06-10 G. A. Fernandez , J. Vrabec , H. Hasse

The linear response description for impurity diffusion in a granular fluid undergoing homogeneous cooling is developed in the preceeding paper. The formally exact Einstein and Green-Kubo expressions for the self-diffusion coefficient are…

软凝聚态物质 · 物理学 2009-11-07 James Lutsko , J. Javier Brey , James W. Dufty

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…

统计力学 · 物理学 2017-06-09 Loris Ercole , Aris Marcolongo , Paolo Umari , Stefano Baroni

Unlike crystalline solids or ideal gases, transport properties remain difficult to describe from a microscopic point of view in liquids, whose dynamics result from complex energetic and entropic contributions at the atomic scale. Two…

软凝聚态物质 · 物理学 2022-08-16 Farid Rizk , Simon Gelin , Anne-Laure Biance , Laurent Joly

We derive the first and second-order expressions for the shear, the bulk viscosity, and the thermal conductivity of a relativistic hot boson gas in a magnetic field using the relativistic kinetic theory within the Chapman-Enskog method. The…

核理论 · 物理学 2022-10-12 Utsab Gangopadhyaya , Victor Roy

Magnetohydrodynamics of strongly magnetized relativistic fluids is derived in the ideal and dissipative cases, taking into account the breaking of spatial symmetries by a quantizing magnetic field. A complete set of transport coefficients,…

高能天体物理现象 · 物理学 2015-05-30 Xu-Guang Huang , Armen Sedrakian , Dirk H. Rischke

Detailed calculations of the transport coefficients of a recently introduced particle-based model for fluid dynamics with a non-ideal equation of state are presented. Excluded volume interactions are modeled by means of biased stochastic…

软凝聚态物质 · 物理学 2010-12-06 Thomas Ihle

The shear viscosity and thermal conductivity coefficients of various liquids exhibit minima along certain trajectories on the phase diagram. These minima arise due to the crossover between the momentum and energy transport mechanisms in…

软凝聚态物质 · 物理学 2022-02-09 S. A. Khrapak , A. G. Khrapak

The transport coefficient of shear viscosity is studied for a hadron matter through microscopic transport model, the Ultra--relativistic Quantum Molecular Dynamics (UrQMD), using the Green--Kubo formulas. Molecular--dynamical simulations…

核理论 · 物理学 2009-11-10 Azwinndini Muronga
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