Multiscale flow simulation of water past a fullerene

K. Ritos, E. M. Kotsalis, J. H. Walther, Y. Ding, M. Praprotnik, P. Koumoutsakos

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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.
Original languageEnglish
Pages (from-to)212
Number of pages1
JournalEuropean Cells and Materials
Issue numberSuppl. 3
Publication statusPublished - 2010


  • molecular dynamics
  • water
  • nanoscale flows


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