Hybrid molecular-continuum fluid dynamics
arXiv:physics/0401093
Abstract
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 the neighbouring domain described by the Navier-Stokes equations for unsteady flow. The effect of fluctuations from the particle system in the scheme accuracy is also studied.
11 pages, Latex, 6 figures, to appear in Phil. Trans. Roy. London