Running Research and Development Projects

Numerical Simulation of Fluid-Structure-Interactions on Cartesian Grids

Website of the project

Project type	Forschergruppe 493
Funded by	German Research Foundation
Begin	August 2003
End	March 2009
Leader	Univ.-Prof. Dr. Hans-Joachim Bungartz, Dr. rer. nat. Miriam Mehl
Staff	Dipl.-Geophys. Markus Brenk
Contact person	Univ.-Prof. Dr. Hans-Joachim Bungartz
Co-operation partner	Prof.Dr. Krafczyk (Institut für Computeranwendungen im Bauingenieurwesen, TU Braunschweig) Prof.Dr. E. Rank (Lehrstuhl für Bauinformatik, TU München)

Brief description

Im Projekt P6 der DFG-Forschergruppe 493 soll ein streng partitionierter Ansatz zur numerischen Simulation von Fluid-Struktur-Wechselwirkungen weiterentwickelt und an prototypischen und zugleich technisch relevanten Modellkonfigurationen erprobt werden. Für die Strömungsberechnungen wird der auf kartesischen Gittern arbeitende MAC-Code Nast++, entwickelt für die Behandlung zeitabhängiger laminarer Strömungen viskoser inkompressibler Fluide in veränderlichen dreidimensionalen Geometrien, weiterentwickelt und eingesetzt. Zur Berechnung der Antwort der flexiblen Strukturen bringt das Projekt P10 (Prof. Rank, Dr.-Ing. Düster) einen Löser zur strukturdynamischen Simulation in den partitionierten Ansatz ein. Nach zunächst vorzunehmenden Verbesserungen bzw. Erweiterungen am Ströungscode soll die voll transiente (implizite) Kopplung im Sinne der partitionierten Lösung realisiert und im Hinblick auf Robustheit und Stabilität untersucht und optimiert werden. Zur Validierung soll vor allem das Prinzipexperiment FLUSTRUC-A aus Projekt P4 (Prof. Durst, Dr.-Ing. Breuer, Dipl.-Ing. Lienhart) dienen. Ein weiterer Schwerpunkt der Arbeiten liegt auf der Bereitstellung einer modularen Software-Infrastruktur, die über einheitlich definierte Schnittstellen den einfachen Austausch von Komponenten gestattet und somit in der Forschergruppe beispielsweise zum Vergleich verschiedener Strukturlöser bzw. verschiedener Fluidlöser in unterschiedlichen Szenarien genutzt werden kann. Hierbei findet eine intensive Kooperation der Teilprojekte P6, P8 und P10 statt.

Modeling and Valuation of Financial Derivatives in Incomplete Markets

Website of the project

Project type	BMBF support program: Mathematics for innovations in the Industrial and Service Sectors
Funded by	BMBF
Begin	July 2007
End	June 2010
Leader	Univ.-Prof. Dr. Hans-Joachim Bungartz
Staff	Dr. rer. nat. Stefan Zimmer, Dipl.-Tech. Math. Stefanie Schraufstetter, Dipl.-Inf. Dirk Pflüger
Contact person	Dr. rer. nat. Stefan Zimmer
Co-operation partner	Prof. Dr. Drs. h.c. Willi Jäger (IWR, University of Heidelberg) Prof. Dr. Markus Reiß (Institute of Applied Mathematics, University of Heidelberg) Prof. Dr. Michael Griebel (Institute for Numerical Simulation, University of Bonn) Thetaris

Brief description

Incomplete markets require new statistical, analytical, and numerical methods, to cope with stochastic volatilities or jumps in the stochastic processes, e.g. These are investigated in a joint project of Universität Heidelberg (with focus on modeling, analysis and statistics), Universität Bonn (with focus on numerics) and SCCS (with focus on software development). The goal of our work in the project is to integrate newly developed methods - especially sparse grid techniques - into the framework of ThetaML, a system of Thetaris GmbH that allows rapid formulation and analysis of complex financial derivatives.

Development of New Methods for the Production of Highly Reactive Polyisobutenes

Project type	IGSSE Project Team
Funded by	Excellence Initiative of the German federal and state governments
Begin	April 2007
End	March 2010
Leader	Univ.-Prof. Dr. Hans-Joachim Bungartz, Dr. rer. nat. Miriam Mehl
Staff	Csaba Attila Vigh, M.Sc Dipl.-Tech. Math. Tobias Neckel
Contact person	Dr. rer. nat. Miriam Mehl
Co-operation partner	Prof. Dr. Fritz Kühn (Chemisty, TUM)

Brief description

Polyisobutene are used in industry in large amounts. Depending on their molecular weight, they are required for rubber production or applied as adhesives, e.g.. More than 100,000 t of highly reactive polyisobutene are produced per year. Thus, efficiency and environmental compatibility are very important tasks. However, to achieve a high qulity and good productivity, all known production methods require reaction temperatures far below 0 degree celsius and solvents such as methylenchloirde, dichlormethane, or ethene. Recently, a new type of catalysts was developed at TUM (Lst. für Anorganische Chemie), that allows the production of highly reactive polyisobutene at ambient temperature and in solvents free from chlorine. The tasks of this group are to transfer this method developed on the laboratory scale to the scale of a production reactor, the detection of the underlying chemical reaction mechanisms, and, finally, the further improvement of the method. To reach these tasks, we will exploit synergies between chemistry and informatics by combining methods of experimental chemistry (reaction mechanisms, testing of other catalysts, heterogeneous catalysis, etc.) and scientific computing (examination and optimization of the cooling of the exothermic reactions, flow and transport processes).

Hardware-oriented Simulation and Computing

Project type	IGSSE Project Team
Funded by	Excellence Initiative of the German federal and state governments
Begin	April 2007
End	March 2010
Leader	Dr. rer. nat. Michael Bader, Dr. Carsten Trinitis
Staff	Csaba Attila Vigh, M.Sc Dipl.-Tech. Math. Tobias Neckel
Contact person	Dr. rer. nat. Michael Bader
Co-operation partner	Prof.Dr. Arndt Bode (CeCVDE, TUM-Informatik), Prof. Dr. Markus Schwaiger (BioMedTUM)

Brief description

The recent development of commodity as well as high-performance computers shows that computationally and data intensive tasks can only benefit from the hardware's full potential, if both processor and architecture features are taken into account - from the early algorithmic design up to the final implementation. Evident examples are the limited memory access via a hierarchy of cache memory and the increasingly hybrid and hierarchical design of high-end systems, both complicated by the ongoing trend towards multi- and manycore CPUs, accelerators and other HPSoCs (High Performance Systems on a Chip). Against this background, this proposal focuses on hardware-aware programming in the context of several applications from Science and Engineering:

• Simulation of fluid flow problems on dynamically adaptive discretisation grids using recursive structured grid generation approaches and space-filling curves for parallelisation and cache-oblivious implementation.
• Compute- and memory-intensive Boundary Element calculations of electric field and potential distributions in the context of simulation and optimisation of High Voltage Apparatus design. (Group Prof. Bode).
• Hardware-aware algorithms for image reconstruction in medical imaging. (Group Prof. Schwaiger)

Modeling and Simulation of Micropumps

Project type	German Research Foundation Project
Funded by	German Research Foundation
Begin	April 2003
End	open
Leader	Dr. rer. nat. Miriam Mehl, Univ.-Prof. Dr. Christoph Zenger
Staff	Dipl.-Inf. Tobias Weinzierl, Dipl.-Tech. Math. Tobias Neckel, Dipl.-Ing. Ioan Lucian Muntean, Dipl.-Geophys. Markus Brenk
Contact person	Dr. rer. nat. Miriam Mehl
Co-operation partner	Prof.Dr. Peter Hänggi (Physik, Uni Augsburg)

Brief description

In this project, a new type of micropumps will be examined in detail. The micropump consists of a three-dimensional array of identical pores with periodically but asymmetrically varying diameter, within which a suspension with particles to be sorted is pumped to and fro. The interplay of the flow field and of stochastic thermical forces results - according to the principles of Brownian Motors - in a directed movement of the suspended particles. As the transport direction depends on the dynamically relevant details of the system, in particular for example of the particle size, this hydrodynamical micropump can be used for a continuous and parallel sorting of particles. The Brownian motion of small particles in a time-dependent viscous flow field through a pore with varying diameter represents a challenging and complex hydrodynamical problem. As, however, an as accurate as possible understanding of the underlying physical processes is indispensable for an experimental realization of the micropump, this problem shall be exhaustively examined within this project with the help of a combination of analytical and numerical methods. Special subjects are:

• transport properties of particles in dependence on the parameters particle size, pumping amplitude and frequency, pore shape, etc.,
• Interactions between particles via their volume and hydrodynamical effects,
• efficiency of particle sorting.

Efficient Parallel Simulation of Fluid Flow on Cartesian Grids

Project type	Competence Network for Technical, Scientific High Performance Computing in Bavaria
Funded by	High-Tech-Offensive Bayern
Begin	2001
End	open
Leader	Univ.-Prof. Dr. Hans-Joachim Bungartz, Univ.-Prof. Dr. Christoph Zenger, Dr. rer. nat. Miriam Mehl
Staff	Dipl.-Ing. Ioan Lucian Muntean, Dipl.-Tech. Math. Tobias Neckel, Dipl.-Inf. Tobias Weinzierl
Contact person	Dr. rer. nat. Miriam Mehl

Brief description

Due to their structuredness in combination with highly local adaptive refinement possibilities, adaptive Cartesian grids offer a very big potential in the context of hardware and, in particular, memory efficient implementation of numerical flow solvers. This project examines the applicability of the corresponding methods for the direct numerical simulation of turbulent channel flows on high performance computers. A particular focus is on the isotropic adaptive refinement of boundary layers and the efficient parallelization on high performance computing architectures.

Particle Transport in Drift Ratchet as an Application Example for High-Performance CFD and FSI

Project type	Grid Computing-based CFD and FSI Simulations
Funded by	DEISA
Begin	January 2008
End	December 2008
Leader	Univ.-Prof. Dr. Hans-Joachim Bungartz
Staff	Dipl.-Ing. Ioan Lucian Muntean
Contact person	Dipl.-Ing. Ioan Lucian Muntean
Co-operation partner	Prof.Dr. Peter Hänggi (Physik, Uni Augsburg), Prof.Dr.-Ing. Rodica Potolea (TU Cluj-Napoca)

Brief description

By means of numerical simulations (CFD and FSI), this project contributes to a better understanding of the physical phenomena involved in particle separation methods based on drift ratchets. This will allow for the optimization and tailoring of the system parameters for specific types of particles and transporting flows. The drift ratchet simulation scenario is computationally expensive, especially because of large simulation times with small time steps, multi-scale models, multi-physics phenomena, and the movement of particles in the complex geometry of the ratchets.

In this project, we focus on:

• computation of CFD and FSI simulations on grid computing environments;
• parameter study of drift ratchet scenarios;
• simulation software tuning for different high-performance computing architectures available within DEISA.

Furthermore, we intend to broaden the software package GridSFEA to support and ease the execution of these large and complex simulations on the Grid.

Numerical Aspects of the Simulation of Quantum Many-body Systems

Project type	QCCC project
Funded by	Quantum Computing, Control and Communication (QCCC)
Begin	January 2008
End	December 2008
Leader	Univ.-Prof. Dr. Thomas Huckle
Staff	Dipl.-Math. Konrad Waldherr
Contact person	Univ.-Prof. Dr. Thomas Huckle
Co-operation partner	Dr. Thomas Schulte-Herbrueggen (Chemistry, TUM)

Brief description

In the last years a growing attention has been dedicated to many body quantum systems from the point of view of quantum information. Indeed, after the initial investigation of simple systems as single or two qubits, the needs of understanding the characteristics of a realistic quantum information device leads necessary to the study of many body quantum systems. These studies are also driven by the very fast development of experiments which in the last years reach the goal of coherent control of a few qubits (ion traps, charge qubits, etc...) with a roadmap for further scaling and improvement of coherent control and manipulation techniques. Also, new paradigm of performing quantum information tasks, such as quantum information transfer, quantum cloning and others, without direct control of the whole quantum system but using our knowledge of it has increased the need of tools to understand in details the behaviour of many body quantum system as we find them in nature. These new goals of the quantum information community lead to an unavoidable exchange of knowledge with other communities that already have the know-how and the insight to address such problems; for example the condensed matter, computational physics or quantum chaos communities. Applying known techniques and developing new ones from a quantum information perspective have already produced fast and unexpected developments in these fields. The comprehension of many body quantum systems ranging from few qubits to the thermodynamical limit is thus needed and welcome not only to develop useful quantum information devices, but it will lead us to a better understanding of the quantum world.

Bavarian Graduate School of Computational Engineering

Website of the BGCE

Project type	Elite Study Program
Funded by	Elite Network of Bavaria
Begin	November 2004
End	November 2009
Leader	Univ.-Prof. Dr. Hans-Joachim Bungartz
Staff	Dr. rer. nat. Michael Bader, Dipl.-Ing. Ioan Lucian Muntean, Dipl.-Inf. Tobias Weinzierl
Contact person	Dr. rer. nat. Michael Bader
Co-operation partner	International Master's Program Computational Mechanics (TUM) International Master's Program Computational Engineering (U Erlangen)

Brief description

The Bavarian Graduate School of Computational Engineering is an association of the three Master programs: Computational Engineering (CE) at the University of Erlangen-Nürnberg, Computational Mechanics (COME), and Computational Science and Engineering (CSE), both at TUM. Funded by the Elitenetzwerk Bayern, the Bavarian Graduate School offers an Honours program for gifted and highly motivated students. The Honours program extends the regular Master's programs by several academic offers:

• additional courses in the area of computational engineering, in particular block courses, and summer academies.
• Courses and seminars on "soft skills" - like communication skills, management, leadership, etc.
• an additional semester project closely connected to current research

Students who master the regular program with an above-average grade, and successfully finish the Honours program, as well, earn the academic degree "Master of Science with Honours".

Accompanying Mobility Measures for the SimLab in Belgrade - SimLab Scholarship Program and Compact Courses

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Project type	DAAD Programme Academic Reconstruction of South Eastern Europe
Funded by	German Academic Exchange Service (DAAD)
Begin	February 2002
End	December 2008
Leader	Univ.-Prof. Dr. Hans-Joachim Bungartz
Staff	Dr. Ralf-Peter Mundani, Dipl.-Ing. Ioan Lucian Muntean
Contact person	Univ.-Prof. Dr. Hans-Joachim Bungartz

SimLab Scholarship program

Seventh SimLab Course on Parallel Numerical Simulation

Additional information