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• W74196692 abstract "We present new algorithms for simulating pressure gradient flows in molecular dynamics (MD) simulations. Nano-channel inlet and outlet non-periodic boundary conditions are implemented using hydrodynamic state reservoirs and flux boundary models at arbitrary boundaries of the domain geometry. We demonstrate the new method in a complex nano-mixer configuration and for droplet deformation in extensional flow channels. The technique which we propose is applicable to any complex nano-channel configuration, and may serve as a useful tool in engineering design of nano-scale applications." @default.
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• W74196692 date "2010-06-21" @default.
• W74196692 modified "2023-09-25" @default.
• W74196692 title "MD boundary conditions for pressure gradient flows : nano-mixing and nano-droplet deformation in extensional flows" @default.
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