MaMiCo: Non-local means and POD filtering with flexible data-flow for molecular-continuum HPC flow simulation

P Jarmatz and F Maurer and H Wittenberg and P Neumann, JOURNAL OF COMPUTATIONAL SCIENCE, 61, 101617 (2022).

DOI: 10.1016/j.jocs.2022.101617

Noise filtering in fluid dynamics enables stable, strongly-coupled molecular-continuum coupling despite potentially high thermal fluctuations. In this extended version of our conference paper "MaMiCo: Non-local Means Filtering with Flexible Data-Flow for Coupling MD and CFD"(ICCS 2021), we apply Non-Local Means filtering (NLM) in a novel space-time formulation to particle data. Our implementation in the Macro-Micro-Coupling tool (MaMiCo) features a flexible filter chain execution for HPC systems. We test it on 3D simulation data with multiple flow scenarios and continuum solvers, including a coupling to OpenFOAM. Our filtering results demonstrate that NLM not only has an excellent signal-to-noise ratio gain when extracting macroscopic flow information from particle ensembles, but also yields benefits for transient two-way coupling.

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