Multiscale flow simulation of water past a fullerene

Ritos, K. and Kotsalis, E. M. and Walther, J. H. and Ding, Y. and Praprotnik, M. and Koumoutsakos, P. (2010) Multiscale flow simulation of water past a fullerene. European Cells and Materials, 20 (Suppl.). p. 212. ISSN 1473-2262

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Abstract

We present a three-dimensional multiscale flow simulation of water past a buckyball. We employ the Schwarz alternating method to couple molecular dynamics of liquid water and the C540 fullerene with the Lattice-Boltzmann (LB) description of the Navier- Stokes (NS) equations. Our approach allows for studying nanoscale flow phenomena that are out of scope of the pure atomistic simulation.

ORCID iDs

Ritos, K. ORCID logoORCID: https://orcid.org/0000-0001-6334-6680, Kotsalis, E. M., Walther, J. H., Ding, Y., Praprotnik, M. and Koumoutsakos, P.;
CORE (COnnecting REpositories)