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.
|Number of pages||1|
|Journal||European Cells and Materials|
|Issue number||Suppl. 3|
|Publication status||Published - 2010|
- molecular dynamics
- nanoscale flows