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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 30 different quadrupolar two-center Lennard-Jones fluids along the bubble…

Chemical Physics · Physics 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…

Chemical Physics · Physics 2009-06-10 Gabriela Guevara-Carrion , Carlos Nieto-Draghi , Jadran Vrabec , Hans Hasse

Transport coefficients and dielectric relaxation in liquids are often treated as distinct manifestations of molecular dynamics. We show that, in polar liquids, orientational dipolar fluctuations generate a substantial contribution to the…

Statistical Mechanics · Physics 2026-05-12 David S. Dean , Haim Diamant

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…

Soft Condensed Matter · Physics 2021-09-30 S. A. Khrapak , A. G. Khrapak

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…

Soft Condensed Matter · Physics 2015-05-18 Lindsey Ann Shall , Sergei A. Egorov

We present transport measurements on a dipolar superfluid using a Bose-Einstein condensate of Dy-162 with strong magnetic dipole-dipole interactions. By moving an attractive laser beam through the condensate we observe an anisotropy in…

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…

Nuclear Theory · Physics 2025-12-03 Chandrodoy Chattopadhyay , Josh Ott , Thomas Schaefer , Vladimir V. Skokov

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…

Soft Condensed Matter · Physics 2024-08-27 Iván M. Zerón , Marina Cueto-Mora , Felipe J. Blas

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…

Computational Physics · Physics 2023-06-05 Xin Liu , Xuhong Guo , Qi Liao

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…

Soft Condensed Matter · Physics 2019-10-23 Arash Nikoubashman , Thomas Ihle

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…

Soft Condensed Matter · Physics 2009-11-07 James Lutsko , J. Javier Brey , James W. Dufty

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…

Soft Condensed Matter · Physics 2022-08-16 Farid Rizk , Simon Gelin , Anne-Laure Biance , Laurent Joly

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…

Statistical Mechanics · Physics 2017-06-09 Loris Ercole , Aris Marcolongo , Paolo Umari , Stefano Baroni

This work derives the Navier--Stokes hydrodynamic equations for a model of a confined, quasi-two-dimensional, $s$-component mixture of inelastic, smooth, hard spheres. Using the inelastic version of the revised Enskog theory, macroscopic…

Soft Condensed Matter · Physics 2026-03-27 David González Méndez , Vicente Garzó

The diffusive transport of biased Brownian particles in a two-dimensional symmetric channel is investigated numerically considering both the no-flow and the reflection boundary conditions at the channel boundaries. Here, the geometrical…

Soft Condensed Matter · Physics 2019-09-10 Narender Khatri , P. S. Burada

Molecular dynamics computer simulation has been used to compute the self-diffusion coefficient, and shear viscosity of soft-sphere fluids, in which the particles interact through the soft-sphere or inverse power pair potential. The…

Soft Condensed Matter · Physics 2010-03-22 Yu. D. Fomin , V. V. Brazhkin , V. N. Ryzhov

Static and dynamic structure factors and various transport coefficients are computed for a Lennard-Jones model of a binary fluid (A,B) with a symmetrical miscibility gap, varying both temperature and relative concentration of the mixture.…

Statistical Mechanics · Physics 2009-11-10 Subir K. Das , Jürgen Horbach , Kurt Binder

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…

Soft Condensed Matter · Physics 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…

Soft Condensed Matter · Physics 2022-02-09 S. A. Khrapak , A. G. Khrapak

We use Monte Carlo and molecular dynamics simulations to study phase behavior and transport properties in a symmetric binary fluid where particles interact via Lennard-Jones potential. Our results for the critical behavior of collective…

Statistical Mechanics · Physics 2018-03-09 Sutapa Roy , Subir K. Das
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