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  • Multiscale simulation of water flow past a ▫$C_540$▫ fullerene
    Walther, Jens H. ...
    We present a novel, three-dimensional, multiscale algorithm for simulations ofwater flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple Molecular Dynamics ... (MD) of liquid water around the C540 buckyball with a Lattice-Boltzmann (LB) description for the Navier-Stokesequations. The proposed method links the MD and LB domains using a fully three-dimensional interface and coupling of velocity gradients. The present overlapping domain method implicitly preserves the flux of mass and momentum and bridges flux-based and Schwarz domain decomposition algorithms. We use this method to determine the slip length and hydrodynamic radius for water flow past a buckyball
    Vir: Journal of computational physics. - ISSN 0021-9991 (Vol. 231, iss. 7, 2012, Str. 2677-2681)
    Vrsta gradiva - e-članek
    Leto - 2012
    Jezik - angleški
    COBISS.SI-ID - 4876826

    Povezava(-e):

    http://www.sciencedirect.com/science/article/pii/S0021999111007273

vir: Journal of computational physics. - ISSN 0021-9991 (Vol. 231, iss. 7, 2012, Str. 2677-2681)
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