Molecular-Continuum Flow Simulation in the Exascale and Big Data Era

Abstract

(b) Figure 1: (a) Slice through a coupled 3D vortex street simulation using a Lattice Boltzmann solver (CFD), also illustrating the location of the embedded MD domain (red box). (b) Y-component of flow velocity in the center of the MD domain over time: noisy result of MD (red dots), CFD result (blue line), filter results for a Median Filter (blue dots) and a Gaussian Filter (green dots) from scipy.ndimage