MD boundary conditions for pressure gradient flows : nano-mixing and nano-droplet deformation in extensional flows
Borg, Matthew Karl and Nicholls, William and Reese, Jason; (2010) MD boundary conditions for pressure gradient flows : nano-mixing and nano-droplet deformation in extensional flows. In: Nanotech 2010. Taylor & Francis, USA. ISBN 9781439834183
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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.
Creators(s): |
Borg, Matthew Karl, Nicholls, William and Reese, Jason ![]() | Item type: | Book Section |
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ID code: | 32105 |
Keywords: | nanofluidics, molecular dynamics, Hybrid Continuum-Molecular, Boundary Conditions, Mechanical engineering and machinery, Solid state physics. Nanoscience, Mechanical Engineering, Mechanics of Materials, Fluid Flow and Transfer Processes |
Subjects: | Technology > Mechanical engineering and machinery Science > Physics > Solid state physics. Nanoscience |
Department: | Faculty of Engineering > Mechanical and Aerospace Engineering |
Depositing user: | Pure Administrator |
Date deposited: | 13 Jul 2011 09:02 |
Last modified: | 01 Jan 2021 06:36 |
Related URLs: | |
URI: | https://strathprints.strath.ac.uk/id/eprint/32105 |
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