Technical Proceedings of the 2010 NSTI Nanotechnology Conference & Expo - Nanotech 2010
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Nanotech 2010 Vol. 2
Chapter 10: Computational Methods, Simulation & Software Tools
MD boundary conditions for pressure gradient flows: nano-mixing, and nano-droplet deformation in extensional flows
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| Authors: | M.K. Borg, W. Nicholls, J.M. Reese |
| Affiliation: | 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. |
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