Numerically intensive simulations on an integrated computing infrastructure

This project is a cooperation with the working group of Prof. Grabowski, University of Göttingen, and the working group of Prof. Yahyapour, GWDG. The project receives additional support in the further development of the numerical solution methods for the application case from the working group of Prof. Deiterding at the University of Southampton. The part of the project being worked on at the Institute of Engineering Mechanics has the following objectives: From an engineering point of view, the aim of the present project is to further develop the understanding of mass transport and conversion in porous materials. The background to the project is the increasing need in various areas of engineering, e.g. chemical process engineering, to design porous materials in a targeted manner and, for example, to use them as carriers for catalysts with optimized conversion rates and selectivity. For this purpose, it is necessary to be able to predict the morphology-transport relationships more accurately than previously possible, taking chemical reactions into account. From a mathematical point of view, the central task is the further development of suitable numerical calculation methods. The starting point for this is the preliminary work carried out by the cooperation partners in the fields of numerical fluid mechanics, in particular the Lattice-Boltzmann (LB) methodology, adaptive grid refinement and parallel and high-performance computing as well as cloud computing. Theoretical models for the calculation of multiphase fluids in such structures based on the LB method have so far only been available in rudimentary form. However, in order to be able to use these methods for the calculation of technically relevant porous structures, further developments are necessary in order to be able to resolve the processes taking place on very different length scales in the numerical method.

Cooperation partner

Prof. Dr. phil. nat. Jens Grabowski
Institute of Computer Science, Georg-August-University Göttingen

Prof. Dr. rer. nat. Ramin Yahyapour
Institute of Computer Science, Georg-August-Universität Göttingen
and Gesellschaft für wissenschaftliche Datenverarbeitung mbH Göttingen

Prof. Dr. rer. nat. Ralf Deiterding
University of Southampton, England

Further information