| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10345986 | Computers & Mathematics with Applications | 2014 | 10 Pages |
Abstract
In this contribution, we review software requirements in hybrid molecular-continuum simulations. For this purpose, we analyze a prototype implementation which combines two frameworks-the Molecular Dynamics framework MarDyn and the framework Peano for spatially adaptive mesh-based simulations-and point out particular challenges of a general coupling software. Based on this analysis, we discuss the software design of our recently published coupling tool. We explain details on its overall structure and show how the challenges that arise in respective couplings are resolved by the software.
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Computer Science
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Authors
Philipp Neumann, Wolfgang Eckhardt, Hans-Joachim Bungartz,