Hybrid molecular-continuum fluid dynamics.
We describe recent developments in the hybrid atomistic/continuum modelling of dense fluids. We discuss the general implementation of mass, momentum and energy transfers between a region described by molecular dynamics and a neighbouring domain described by the Navier-Stokes equations for unsteady continuum fluid flow.
Centre for Computational Science, Department of Chemistry, University College London, 20 Gordon Street, London WC1 0AJ, UK.
Rafael
R
Delgado-Buscalioni
Peter V
PV
Coveney