Nanotech 2010 Vol. 2
Nanotech 2010 Vol. 2
Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational

Computational Methods, Simulation & Software Tools Chapter 10

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

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

Abstract:
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.

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

ISBN: 978-1-4398-3402-2
Pages: 862
Hardcopy: $189.95