dorsal/arxiv
View SchemaFluctuating hydrodynamic modelling of fluids at the nanoscale
| Authors | G. De Fabritiis, M. Serrano, R. Delgado-Buscalioni, P. V. Coveney |
|---|---|
| Categories | |
| ArXiv ID | physics/0612230 |
| URL | https://arxiv.org/abs/physics/0612230 |
| DOI | 10.1103/PhysRevE.75.026307 |
Abstract
A good representation of mesoscopic fluids is required to combine with molecular simulations at larger length and time scales (De Fabritiis {\it et. al}, Phys. Rev. Lett. 97, 134501 (2006)). However, accurate computational models of the hydrodynamics of nanoscale molecular assemblies are lacking, at least in part because of the stochastic character of the underlying fluctuating hydrodynamic equations. Here we derive a finite volume discretization of the compressible isothermal fluctuating hydrodynamic equations over a regular grid in the Eulerian reference system. We apply it to fluids such as argon at arbitrary densities and water under ambient conditions. To that end, molecular dynamics simulations are used to derive the required fluid properties. The equilibrium state of the model is shown to be thermodynamically consistent and correctly reproduces linear hydrodynamics including relaxation of sound and shear modes. We also consider non-equilibrium states involving diffusion and convection in cavities with no-slip boundary conditions.
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"abstract": "A good representation of mesoscopic fluids is required to combine with\nmolecular simulations at larger length and time scales (De Fabritiis {\\it et.\nal}, Phys. Rev. Lett. 97, 134501 (2006)). However, accurate computational\nmodels of the hydrodynamics of nanoscale molecular assemblies are lacking, at\nleast in part because of the stochastic character of the underlying fluctuating\nhydrodynamic equations. Here we derive a finite volume discretization of the\ncompressible isothermal fluctuating hydrodynamic equations over a regular grid\nin the Eulerian reference system. We apply it to fluids such as argon at\narbitrary densities and water under ambient conditions. To that end, molecular\ndynamics simulations are used to derive the required fluid properties. The\nequilibrium state of the model is shown to be thermodynamically consistent and\ncorrectly reproduces linear hydrodynamics including relaxation of sound and\nshear modes. We also consider non-equilibrium states involving diffusion and\nconvection in cavities with no-slip boundary conditions.",
"arxiv_id": "physics/0612230",
"authors": [
"G. De Fabritiis",
"M. Serrano",
"R. Delgado-Buscalioni",
"P. V. Coveney"
],
"categories": [
"physics.flu-dyn",
"physics.bio-ph"
],
"doi": "10.1103/PhysRevE.75.026307",
"title": "Fluctuating hydrodynamic modelling of fluids at the nanoscale",
"url": "https://arxiv.org/abs/physics/0612230"
},
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