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Driving mechanisms and streamwise homogeneity in molecular dynamics simulations of nanochannel flows

Author
Bitrián, V.; Principe, J.
Type of activity
Journal article
Journal
Physical review fluids
Date of publication
2018-01-12
Volume
3
Number
1
DOI
https://doi.org/10.1103/PhysRevFluids.3.014202 Open in new window
Repository
http://hdl.handle.net/2117/117736 Open in new window
URL
https://journals.aps.org/prfluids/abstract/10.1103/PhysRevFluids.3.014202 Open in new window
Abstract
In molecular dynamics simulations, nanochannel flows are usually driven by a constant force, that aims to represent a pressure difference between inlet and outlet, and periodic boundary conditions are applied in the streamwise direction resulting in an homogeneous flow. The homogeneity hypothesis can be eliminated adding reservoirs at the inlet and outlet of the channel which permits us to predict streamwise variation of flow properties. It also opens the door to drive the flow by applying a pre...
Citation
Bitrián, V., Principe, J. Driving mechanisms and streamwise homogeneity in molecular dynamics simulations of nanochannel flows. "Physical review fluids", 12 Gener 2018, vol. 3, núm. 1.
Group of research
(MC)2 - UPC Computational continuum mechanics
ANiComp - Numerical analysis and scientific computation

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