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. ![]() | Item type: | Article |
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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: | 21 Feb 2021 02:34 |
Related URLs: | |
URI: | https://strathprints.strath.ac.uk/id/eprint/63345 |
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