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Update pages/community/precice-workshop-2024.md
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Co-authored-by: Ishaan Desai <[email protected]>
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carme-hp and IshaanDesai authored Aug 7, 2024
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<details class="workshop-event" id="talk-voit">
<summary>
MaMiCo-preCICE coupling for hybrid molecular-continuum flow simulations<br/>
<p>Louis Voit (<a href="https://github.com/LouieVoit">@LouieVoit</a>), Helmut-Schmidt-Universität - Universität der Bundeswehr Hamburg, Germany</p>
<p>Louis Voit (<a href="https://github.com/LouieVoit">@LouieVoit</a>), Helmut Schmidt University - University of the Federal Armed Forces Hamburg, Germany</p>
</summary>
<p>Molecular-continuum flow simulations apply computationally intensive molecular dynamics (MD) simulations in localized regions of a geometry under consideration, and classical, computationally cheaper computational fluid dynamics (CFD) solvers are employed for the remainder of the vast computational domain. The macro-micro coupling tool MaMiCo handles the coupling between a MD solver and a CFD solver. It is highly parallelized and provides interfaces to couple various MD and CFD solvers.
Recently, preCICE has been coupled to MaMiCo. It allows us to access the large number of CFD solvers already coupled to preCICE, to use preCICE's interpolation methods in case of non matching grids between MaMiCo's grid and the continuum software's grid, to have a real partitioned approach with separate executables, to use preCICE's advanced time coupling schemes, etc. Validation and scaling have been done on various super computers, generally on a Couette flow scenario. Furthermore, MaMiCo and preCICE have been recently used to simulate an advanced transcritical multiphase scenario. Finally, we used preCICE to couple a CFD solver running on a laptop to a massively-parallel MD simulation running on a cluster.
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