Hybrid molecular–continuum methods: From prototypes to coupling software
| Autor: | Philipp Neumann, Wolfgang Eckhardt, Hans-Joachim Bungartz |
|---|---|
| Rok vydání: | 2014 |
| Předmět: |
Structure (mathematical logic)
Coupling Theoretical computer science Continuum (topology) business.industry Computer science Computational Mathematics Software Computational Theory and Mathematics Computer engineering Modeling and Simulation Peano axioms Software design Point (geometry) Software requirements business |
| Zdroj: | Computers & Mathematics with Applications. 67:272-281 |
| ISSN: | 0898-1221 |
| DOI: | 10.1016/j.camwa.2013.07.006 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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