Continuum Navier-Stokes modelling of water ow past fullerene molecules

J. H. Walther, A. Popadic, P. Koumoutsakos, M. Praprotnik

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Abstract

We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently by continuum flow solvers, allowing for investigations into spatiotemporal scales inaccessible to atomistic simulations.
Original languageEnglish
Publication date2015
Number of pages1
Publication statusPublished - 2015
Event 68th Annual Meeting of the American Physical Society's Division of Fluid Dynamics (DFD) - Boston, United States
Duration: 22 Nov 201524 Nov 2015
https://apsdfd2015.mit.edu/home

Conference

Conference 68th Annual Meeting of the American Physical Society's Division of Fluid Dynamics (DFD)
CountryUnited States
CityBoston
Period22/11/201524/11/2015
Internet address

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