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A Laplacian-based algorithm for non-isothermal atomistic-continuum hybrid simulation of micro and nano-flows
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Alexiadis, Alessio, Lockerby, Duncan A., Borg, Matthew K. and Reese, Jason M. (2013) A Laplacian-based algorithm for non-isothermal atomistic-continuum hybrid simulation of micro and nano-flows. Computer Methods in Applied Mechanics and Engineering, Volume 264 . pp. 81-94. doi:10.1016/j.cma.2013.05.020 ISSN 0045-7825.
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WRAP_Alexiadis_1-s2.0-S0045782513001473-main.pdf - Published Version Available under License Creative Commons Attribution. Download (3704Kb) | Preview |
Official URL: http://dx.doi.org/10.1016/j.cma.2013.05.020
Abstract
We propose a new hybrid algorithm for incompressible micro and nanoflows that applies to non-isothermal steady-state flows and does not require the calculation of the Irving–Kirkwood stress tensor or heat flux vector. The method is validated by simulating the flow in a channel under the effect of a gravity-like force with bounding walls at two different temperatures and velocities. The model shows very accurate results compared to benchmark full MD simulations. In the temperature results, in particular, the contribution of viscous dissipation is correctly evaluated.
| Item Type: | Journal Article | ||||
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| Subjects: | Q Science > QA Mathematics | ||||
| Divisions: | Faculty of Science, Engineering and Medicine > Engineering > Engineering | ||||
| Library of Congress Subject Headings (LCSH): | Algorithms, Computer algorithms, Molecular dynamics, Nanotubes, Computational fluid dynamics, Fluid dynamics | ||||
| Journal or Publication Title: | Computer Methods in Applied Mechanics and Engineering | ||||
| Publisher: | Elsevier BV | ||||
| ISSN: | 0045-7825 | ||||
| Official Date: | 1 September 2013 | ||||
| Dates: |
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| Volume: | Volume 264 | ||||
| Page Range: | pp. 81-94 | ||||
| DOI: | 10.1016/j.cma.2013.05.020 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Access rights to Published version: | Open Access (Creative Commons) | ||||
| Date of first compliant deposit: | 25 December 2015 | ||||
| Date of first compliant Open Access: | 25 December 2015 | ||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC) | ||||
| Grant number: | EP/I011927/1 (EPSRC) |
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