boundary conditions – TechConnect Briefs

Hybrid molecular dynamics and Navier-Stokes method in complex nanoflow geometries

Borg M.K., Nicholls W., Reese J.M., University of Strathclyde, UK

We present a new hybrid method which applies molecular dynamics (MD) in regions of a computatational domain where nano-scale phenomena occurs, and couple it with a Navier-Stokes continuum formulation where applicable. We employ a domain [...]

MD boundary conditions for pressure gradient flows: nano-mixing, and nano-droplet deformation in extensional flows

Borg M.K., Nicholls W., Reese J.M., University of Strathclyde, UK

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 [...]

Squeezing Flow of Particles and Large Molecules Suspended in a Liquid Through Nanochannels

Acrivos A., Khusid B., Koplik J., Drazer G., New Jersey Institute of Technology, US

The presentation addresses the status of current understanding of the hydrodynamic phenomena accompanyin the motion of a nanometer-sized particle through a nanotube.

Squeezing Flow of Particles and Large Molecules Suspended in a Liquid Through Nanochannels

Acrivos A., Khusid B., Koplik J., Drazer G., New Jersey Institute of Technology, US

The presentation addresses the status of current understanding of the hydrodynamic phenomena accompanied the motion of a nanometer-sized particle through a nanotube.