Nonequilibrium shear viscosity computations with Langevin dynamics

DOI10.1137/110836237zbMATH Open1246.82092arXiv1106.0633OpenAlexW2952214138MaRDI QIDQ2909534FDOQ2909534

Authors: Rémi Joubaud, Gabriel Stoltz 

Publication date: 30 August 2012

Published in: Multiscale Modeling \& Simulation (Search for Journal in Brave)

Abstract: We study the mathematical properties of a nonequilibrium Langevin dynamics which can be used to estimate the shear viscosity of a system. More precisely, we prove a linear response result which allows to relate averages over the nonequilibrium stationary state of the system to equilibrium canonical expectations. We then write a local conservation law for the average longitudinal velocity of the fluid, and show how, under some closure approximation, the viscosity can be extracted from this profile. We finally characterize the asymptotic behavior of the velocity profile, in the limit where either the transverse or the longitudinal friction go to infinity. Some numerical illustrations of the theoretical results are also presented.

Full work available at URL: https://arxiv.org/abs/1106.0633

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Mathematics Subject Classification ID

Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31) Transport processes in time-dependent statistical mechanics (82C70)

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