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The molecular simulation approach to complex hydrodynamics
Author(s) -
Mareschal M.,
Kestemont E.,
Mansour M. Malek
Publication year - 1993
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560460105
Subject(s) - non equilibrium thermodynamics , physics , statistical physics , boundary value problem , shock wave , classical mechanics , mechanics , thermodynamics , quantum mechanics
We present here some recent results obtained in the direct simulation of nonequilibrium fluids. First, the transition to convection is studied by means of a hard‐disk model with the appropriate boundary conditions. The quantitative agreement between molecular dynamics and Navier–Stokes hydrodynamics is an impressive argument in favor of the hydrodynamic modeling down to atomic scales, even in nonequilibrium states. Next, the Rayleigh–Brillouin spectrum of a hard‐sphere fluid subjected to a temperature gradient is presented. The simulation is used as a quantitative test of the “Landau–Lifshitz” hypothesis concerning the amplitude of the fluctuating hydrodynamic fluxes, extended to nonequilibrium. Finally, a short description of shock waves in a dilute system is given and the discrepancy between the molecular simulations and the continuum approach is further discussed. We conclude by some remarks concerning the perspectives in nonequilibrium fluids offered by the development of large‐scale computers. © 1993 John Wiley & Sons, Inc.