| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Wittenberg, Helene | - |
| dc.contributor.author | Neumann, Philipp | - |
| dc.date.accessioned | 2022-02-08T10:24:38Z | - |
| dc.date.available | 2022-02-08T10:24:38Z | - |
| dc.date.issued | 2021-12-01 | - |
| dc.identifier.issn | 2079-3197 | - |
| dc.identifier.issn | 2079-3197 | - |
| dc.description.abstract | Molecular-continuum methods, as considered in this work, decompose the computational domain into continuum and molecular dynamics (MD) sub-domains. Compared to plain MD simulations, they greatly reduce computational effort. However, the quality of a fully two-way coupled simulation result strongly depends on a variety of system-specific parameters, and the corresponding sensitivity is only rarely addressed in the literature. Using a state-flux molecular-continuum coupling algorithm, we investigated the influences of various parameters, such as the size of the overlapping region, the coupling time step and the quality of ensemble-based sampling of flow velocities, in a Couette flow scenario. In particular, we considered a big setup in terms of domain size and number of time steps, which allowed us to investigate the long-term behavior of the coupling algorithm close to the incompressible regime. While mostly good agreement was reached on short time scales, it was the long-term behavior which differed even with slightly differently parametrized simulations. We demonstrated our findings by measuring the error in velocity, and we summarize our main observations with a few lessons learned. | - |
| dc.description.sponsorship | High Performance Computing | - |
| dc.description.sponsorship | DTEC.bw | - |
| dc.language.iso | eng | - |
| dc.publisher | MDPI | - |
| dc.relation | Makro/Mikro-Simulation des Phasenzerfalls im Transkritischen Bereich | - |
| dc.relation | Resilience and Dynamic Noise Reduction at Exascale for Multiscale Simulation Coupling | - |
| dc.relation.ispartof | Computation | - |
| dc.subject | dtec.bw | - |
| dc.title | Transient two-way molecular-continuum coupling with openfoam and mamico: A sensitivity study | - |
| dc.type | Article | - |
| dc.identifier.doi | 10.3390/computation9120128 | - |
| dc.identifier.scopus | 2-s2.0-85121580245 | - |
| dcterms.bibliographicCitation.volume | 9 | - |
| dcterms.bibliographicCitation.issue | 12 | - |
| dcterms.bibliographicCitation.originalpublisherplace | Basel | - |
| local.submission.type | only-metadata | - |
| dc.type.article | Scientific Article | - |
| hsu.peerReviewed | ✅ | - |
| item.grantfulltext | none | - |
| item.languageiso639-1 | en | - |
| item.fulltext_s | No Fulltext | - |
| item.openairetype | Article | - |
| item.fulltext | No Fulltext | - |
| crisitem.author.dept | High Performance Computing | - |
| crisitem.author.parentorg | Fakultät für Maschinenbau und Bauingenieurwesen | - |
| Appears in Collections: | 3 - Publication references (without fulltext) | |
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