Multiscale flow simulation of water past a fullerene

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

Research output: Contribution to journalArticle

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.
LanguageEnglish
Pages212
Number of pages1
JournalEuropean Cells and Materials
Volume20
Issue numberSuppl. 3
Publication statusPublished - 2010

Fingerprint

Fullerenes
Flow simulation
Water
Molecular Dynamics Simulation
Navier Stokes equations
Molecular dynamics
Liquids

Keywords

  • molecular dynamics
  • water
  • nanoscale flows

Cite this

Ritos, K., Kotsalis, E. M., Walther, J. H., Ding, Y., Praprotnik, M., & Koumoutsakos, P. (2010). Multiscale flow simulation of water past a fullerene. European Cells and Materials, 20(Suppl. 3), 212.
Ritos, K. ; Kotsalis, E. M. ; Walther, J. H. ; Ding, Y. ; Praprotnik, M. ; Koumoutsakos, P. / Multiscale flow simulation of water past a fullerene. In: European Cells and Materials. 2010 ; Vol. 20, No. Suppl. 3. pp. 212.
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Ritos, K, Kotsalis, EM, Walther, JH, Ding, Y, Praprotnik, M & Koumoutsakos, P 2010, 'Multiscale flow simulation of water past a fullerene' European Cells and Materials, vol. 20, no. Suppl. 3, pp. 212.

Multiscale flow simulation of water past a fullerene. / Ritos, K.; Kotsalis, E. M.; Walther, J. H.; Ding, Y.; Praprotnik, M.; Koumoutsakos, P.

In: European Cells and Materials, Vol. 20, No. Suppl. 3, 2010, p. 212.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Multiscale flow simulation of water past a fullerene

AU - Ritos, K.

AU - Kotsalis, E. M.

AU - Walther, J. H.

AU - Ding, Y.

AU - Praprotnik, M.

AU - Koumoutsakos, P.

PY - 2010

Y1 - 2010

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AB - 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.

KW - molecular dynamics

KW - water

KW - nanoscale flows

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JO - European Cells and Materials

T2 - European Cells and Materials

JF - European Cells and Materials

SN - 1473-2262

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ER -

Ritos K, Kotsalis EM, Walther JH, Ding Y, Praprotnik M, Koumoutsakos P. Multiscale flow simulation of water past a fullerene. European Cells and Materials. 2010;20(Suppl. 3):212.