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, Abingdon. 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.
| Item type: | Book Section |
|---|---|
| ID code: | 32105 |
| Keywords: | nanofluidics, molecular dynamics, Hybrid Continuum-Molecular, Boundary Conditions, Mechanical engineering and machinery, Solid state physics. Nanoscience |
| Subjects: | Technology > Mechanical engineering and machinery Science > Physics > Solid state physics. Nanoscience |
| Department: | Faculty of Engineering > Mechanical and Aerospace Engineering |
| Related URLs: | |
| Depositing user: | Pure Administrator |
| Date Deposited: | 13 Jul 2011 10:02 |
| Last modified: | 01 Jun 2012 06:42 |
| URI: | http://strathprints.strath.ac.uk/id/eprint/32105 |
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