Kompetenznetzwerk für wissenschaftliches Höchstleistungsrechnen in Bayern


Computing continuum fields from particle data


Prof. Dr. Thorsten Pöschel
Institute for Multiscale Simulation
FAU Erlangen-Nürnberg


The aim of this project is to develop efficient software for the derivation of continuous fields from discrete particle data. Particulate systems and particle technology are relevant for numerous fields of application such as new materials, process engineering or particle based simulation methods. Mostly, the relevant systems are much larger than the typical particle size, i.e., the systems involve a large number of particles. To investigate, understand, optimise, or evaluate these particulate systems it is, therefore, often neither possible nor necessary to consider information about the individual particles. In many cases a continuum description or view of the inherently discrete particle system is desired or sufficient – similar to the case of classical hydrodynamics, where we are not interested in the individual atoms or molecules, but rather in the macroscopic hydrodynamic fields such as the density, the temperature, the velocity, or the pressure. Similar to hydrodynamics, such continuous descriptions can be obtained for systems of macroscopic particles by averaging. The aim of this project is to implement three conceptual different methods for this averaging process. Due to the typically large number of particles involved, a highly efficient, parallel implementation is crucial. The three methods are partially complementary regarding their field of application and each of them has its weaknesses and strengths. Therefore, an important part of this project is to compare the three methods for a set of prototypical application examples. The software library will offer both, an interface for the post-processing of simulation and experimental data of particulate systems and an interface with which the library can be applied online within, e.g., particle-based simulation tools. Additionally we will provide a comprehensive documentation of the developed software tools and an user-interface in form of a Paraview plugin to allow for intuitive operation.