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

	Nanotech 2010 Vol. 2 Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational Chapter 10: Computational Methods, Simulation & Software Tools
	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, UK
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.
ISBN:	978-1-4398-3402-2
Pages:	862
Hardcopy:	$189.95

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