Authors: M.K. Borg, W. Nicholls, J.M. Reese
Affilation: University of Strathclyde, United Kingdom
Pages: 564 - 568
Keywords: molecular dynamics, boundary conditions, arbitrary geometries, nanofluids
We develop new non-periodic boundary conditions in molecular dynamics (MD) simulations, applied to inlets and outlets of nanochannel flow problems. We demonstrate Poiseuille-type flow simulations for two applications in relatively complex geometries: a mixing channel case of three inlet one outlet design; and an extensional flow problem showing droplet deformation in the throat of the channel.