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.

    Creators(s): Ritos, K. ORCID logoORCID: https://orcid.org/0000-0001-6334-6680, Kotsalis, E. M., Walther, J. H., Ding, Y., Praprotnik, M. and Koumoutsakos, P.;
    Item type:Article
    ID code:63345
    Keywords:molecular dynamics, water, nanoscale flows, Science, Biochemistry, Biomaterials
    Subjects:Science
    Department:Faculty of Engineering > Mechanical and Aerospace Engineering
    Depositing user: Pure Administrator
    Date deposited:19 Feb 2018 15:29
    Last modified:23 Nov 2020 02:09
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/63345
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