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.

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• Item metadata

  Item type:	Article
  ID code:	63345
  Dates:	Date Event 2010 Published
  Subjects:	Science
  Department:	Faculty of Engineering > Mechanical and Aerospace Engineering
  Depositing user:	Pure Administrator
  Date deposited:	19 Feb 2018 15:29
  Last modified:	08 Apr 2024 23:52
  Related URLs:	Journal or Publication
  URI:	https://strathprints.strath.ac.uk/id/eprint/63345