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

[img]
Preview
Text (Ritos-etal-ECM-2010-Multiscale-flow-simulation-of-water-past-a-fullerene)
Ritos_etal_ECM_2010_Multiscale_flow_simulation_of_water_past_a_fullerene.pdf
Final Published Version

Download (136kB)| Preview

    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.