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Latest Projects (Overview)

Find out about the latest simulation projects run on the GCS supercomputers. For the complete overview of projects, sorted by research fields, please choose from the list in the left column.

Statistical and Geometrical Properties of Turbulent Flows with Viscosity Stratification

Statistical and Geometrical Properties of Turbulent Flows with Viscosity Stratification

Viscosity represents the most important property of turbulent flows, yet its impact of its variation on turbulence dynamics is not yet fully understood. This project addresses how the dissipation mechanism and self-similarity of turbulent flows are affected by fluctuations in viscosity—questions that can help lead to better turbulent mixing models, and, in turn, improved predictions of pollutants in combustion engines. Highly resolved direct numerical simulations of turbulent shear flows on JUQUEEN with up to 231 billion grid points were performed in pursuit of an answer to this question.

Principal Investigator: Michael Gauding, Université de Rouen, Rouen (France)
HPC Platform: JUQUEEN of JSC - Date published: May 2017
More: Statistical and Geometrical Properties of Turbulent Flows with Viscosity Stratification …

Unveiling Water Structure and Dynamics at Interfaces

Unveiling Water Structure and Dynamics at Interfaces

The properties of water at interfaces such as liquid/vapor and liquid/solid interfaces are relevant to many fundamental processes in atmospheric chemistry as well as in biology such as protein folding and aggregation mechanisms. Leveraging HPC resources available at the HLRS, researchers at the Johannes Gutenberg University in Mainz apply ab initio molecular dynamics simulations (AIMD) in both equilibrium and non-equilibrium conditions, as AIMD simulations are an ideal tool for accurate descriptions of heterogeneous condensed phase systems. By simulating the behaviour of water at the nanoscale, the scientists aim for a better understanding about its properties at the interface.

Principal Investigator: Marialore Sulpizi, Johannes Gutenberg University, Mainz (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: April 2017
More: Unveiling Water Structure and Dynamics at Interfaces …

Reducing Jet Noise with Chevron Nozzles

Reducing Jet Noise with Chevron Nozzles

Noise reduction is a key goal in European aircraft policy. One of the major noise sources at aircraft take-off is the engine jet noise. Recently, chevron nozzles were introduced which have drawn a lot of attention in research and the aircraft industry. Since the flow structures in the jet depend on the details of the nozzle exit geometry and have a large impact on the noise sources in the jet, scientists of the RWTH Aachen University extensively investigate chevron nozzles by running large-scale simulations based on a highly resolved mesh with up to 1 billion mesh cells.

Principal Investigator: Matthias Meinke, Chair of Fluid Mechanics and Institute of Aerodynamics, RWTH Aachen University, Aachen (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: April 2017
More: Reducing Jet Noise with Chevron Nozzles …

High-Performance Simulation of Ultrafast Phase Transition

High-Performance Simulation of Ultrafast Phase Transition

Nanoscale wires can change from insulators to conductors when struck by a laser pulse. This phase transition occurs extremely fast — as fast as quantum mechanics allows, in fact — something that was previously thought to be impossible on surfaces. Scientists of the University of Paderborn and Duisburg–Essen leveraged the computing power of HPC system Hazel Hen for simulations to explain the physics behind this unexpected discovery.

Principal Investigator: Prof. Dr. Wolf Gero Schmidt, Theoretical Materials Physics Group, Paderborn University (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: April 2017
More: High-Performance Simulation of Ultrafast Phase Transition …

How Does the HIV Virus Hijack the Human Nuclear Pore Complex?

How Does the HIV Virus Hijack the Human Nuclear Pore Complex?

HIV is one of the most significant global public health threats. The virus evolves rapidly, and multi-drug resistant strains have already emerged. The drugs approved to date target only four HIV proteins. While two novel drug targets, Rev and the capsid protein (CA), have been identified, so far none have reached clinical trials. Scientists leverage the computing power of HPC system SuperMUC to simulate detailed and accurate models of the protein-protein interactions of these targets with the aim to facilitate the design of more effective drugs.
  
Principal Investigator: Helmut Grubmüller, Max-Planck-Institute for Biophysical Chemistry, Göttingen (Germany)
HPC Platform: SuperMUC of LRZ - Date published: April 2017
More: How Does the HIV Virus Hijack the Human Nuclear Pore Complex? …

Advanced Stencil-Code Engineering for Parallel Multigrid

Advanced Stencil-Code Engineering for Parallel Multigrid

With the rapidly changing massively parallel computer architectures arising in recent years, it became a huge challenge to make efficient use of contemporary supercomputers. Project ExaStencils addresses this problem by providing an easy-to-use, multi-layered domain-specific language to the application programmer such that problems can be formulated in an intuitive way fitting to different levels of abstraction. The necessary code transformations are performed by a special-purpose compiler framework that is able to produce scalable and efficient code that runs on large supercomputers like JUQUEEN of JSC.

Principal Investigator: Harald Köstler, Friedrich-Alexander Universität Erlangen-Nürnberg (Germany)
HPC Platform: JUQUEEN of JSC - Date published: March 2017
More: Advanced Stencil-Code Engineering for Parallel Multigrid …

Fluid Flow Simulations with Two-Phase Effects on Next Generation Supercomputers

Fluid Flow Simulations with Two-Phase Effects on Next Generation Supercomputers

Wind turbines are becoming increasingly efficient and quieter, while turbines operate reliably at high pressures and temperatures, and aircrafts use less fuel. These and other technical advances are made possible in great part because the occurring flow fields can be simulated with great accuracy on modern supercomputers. These machines use one hundred thousand processors and more to perform their calculations. The programs that are to run on such devices must be adapted to this high number of processors. An interdisciplinary team, which includes researchers of several institutes of the University of Stuttgart, has developed such a software package to enable two-phase flow simulations, where gaseous and liquid phases coexist.

Principal Investigators: Malte Hoffmann, Claus-Dieter Munz, Institute of Aerodynamics and Gas Dynamics, University of Stuttgart (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: March 2017
More: Fluid Flow Simulations with Two-Phase Effects on Next Generation Supercomputers …

Numerical Simulation of Impinging Jets

Numerical Study of Aeroacoustics of a Round Supersonic Impinging Jet

Supersonic impinging jets can be found in different technical applications of aerospace engineering. Depending on the flow conditions, loud tonal noise can be emitted. The so-called impinging tone is investigated by researchers of the chair of computational fluid dynamics at the Technical University of Berlin. Using direct numerical simulations (DNS) carried out on the Cray HPC systems Hermit, Hornet and Hazel Hen of the HLRS, the underlying sound source mechanisms could be identified for a typical configuration.

Principal Investigator: Jörn Sesterhenn, CFD - Technische Universität Berlin (Germany)
HPC Platform: Hermit/Hornet/Hazel Hen of HLRS - Date published: February 2017
More: Numerical Study of Aeroacoustics of a Round Supersonic Impinging Jet …

Laminar-Turbulent Transition and Flow Control in Boundary Layers

Laminar-Turbulent Transition and Flow Control in Boundary Layers

The flow layer near the surface of a body - the boundary layer - can have a smooth, steady, low-momentum laminar state, but also an unsteady, turbulent, layer-stirring state with increased friction drag and wall heat flux. Wall heating is especially severe with supersonic hot gas flows like, e.g., in a rocket (Laval-) nozzle extension. To protect the walls from thermal failure a cooling gas is injected building a cooling film. Its persistence depends strongly on the layer state of the hot-gas flow, the type of cooling gas, and the form and strength of injection. Fundamental studies are performed using direct numerical simulations, providing also valuable benchmark data for less intricate computational-fluid-dynamics methods using turbulence models.

Principal Investigators: Markus J. Kloker, Ulrich Rist, Institute for Aerodynamics and Gas Dynamics, University of Stuttgart (Germany)
HPC Platform: Hornet/Hazel Hen of HLRS - Date published: February 2017
More: Laminar-Turbulent Transition and Flow Control in Boundary Layers …

Numerical Simulation of Impinging Jets

Numerical Simulation of Impinging Jets

As part of the collaborative research centre CRC 1029, impingement cooling is studied at the chair of computational fluid dynamics at the Technical University of Berlin. The project aims at a more efficient cooling of turbine blades. This is necessary since future combustion concepts within gas turbines bring much higher thermal loads. Large scale direct numerical simulations (DNS) are carried out using the Cray supercomputers Hermit, Hornet and Hazel Hen of the HLRS.

Principal Investigator: Jörn Sesterhenn, CFD - Technische Universität Berlin (Germany)
HPC Platform: Hermit/Hornet/Hazel Hen of HLRS - Date published: February 2017
More: Numerical Simulation of Impinging Jets …

Local Supercluster Simulations

Local Supercluster Simulations

An international team of scientists performed a series of Constrained Simulations to study Near Field Cosmology. These high-resolution simulations allowed the astrophysicists, for the first time, to study the formation of the Local Group in the right cosmic environment.
  
Principal Investigator: Stefan Gottlöber, Leibniz-Institut für Astrophysik Potsdam (Germany)
HPC Platform: SuperMUC of LRZ - Date published: January 2017
More: Local Supercluster Simulations …

The Strangeness Content of the Nucleon

The Strangeness Content of the Nucleon

At the Large Hadron Collider at CERN protons are collided at extremely high energies in an effort to detect New Physics, i.e. deviations from Standard Model expectations. These depend on the structure of the colliding protons, and this is largely determined by quantum fluctuations, e.g., by how much of the proton is made up of short lived quark-antiquark pairs. At present the mass fractions are controversial both for light (up, down) and for strange quarks. These (and related) quantities are calculated within Quantum Chromodynamics. The partial results obtained so far hint at inconsistencies of present parametrizations.
  
Principal Investigator: Andreas Schäfer, Institut für Theoretische Physik, Universität Regensburg (Germany)
HPC Platform: SuperMUC of LRZ - Date published: January 2017
More: The Strangeness Content of the Nucleon …

Computational Characterization of Structural Dynamics and Interactions Underlying the Function of Transmembrane Domains of Integral Membrane Proteins

Computational Characterization of Structural Dynamics and Interactions Underlying the Function of Transmembrane Domains of Integral Membrane Proteins

Integral membrane proteins exhibit conformational flexibility at different structural levels and time scales. Our work focusses on the biophysical basis of the interdependence of transmembrane helix dynamics, helix-helix recognition, and helix-lipid interactions. In this context, we try to understand the impacts of these phenomena on biological processes, such as membrane fusion, lipid translocation, and intramembrane proteolysis. Our approach closely connects experimental work and established computational analysis in order to interpret and guide the experiments and to validate the simulations.
  
Principal Investigators: Christina Scharnagl and Dieter Langosch, Technical University of Munich (Germany)
HPC Platform: SuperMUC of LRZ - Date published: January 2017
More: Computational Characterization of Structural Dynamics and Interactions Underlying the Function of Transmembrane Domains of Integral Membrane Proteins …

Nucleon Observables as Probes for Physics Beyond the Standard Model

Nucleon Observables as Probes for Physics Beyond the Standard Model

Utilizing the approach of lattice QCD, physicists computed key observables with the goal to better understand the inner structure of nucleons. This project addressed in particular the quark and gluon contributions to the spin, the angular momentum, and the momentum of the nucleon while a special focus was laid on the calculation of the scalar quark content of the proton. Such calculations will aid research of physical processes in particle physics and the as yet unknown nature of dark matter.
  
Principal Investigator: Dr. Karl Jansen, Deutsches Elektronen-Synchrotron/DESY, Zeuthen (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: January 2017
More: Nucleon Observables as Probes for Physics Beyond the Standard Model …

Realistic Modeling of Semiconductor Properties by First Principles Calculations

Realistic Modeling of Semiconductor Properties by First Principles Calculations

For the development of new communication and computing technologies, conceptually new materials and device architectures are needed. One pathway of increasing the efficiency of e.g. integrated transistor circuits is to implement photonic functionality to the devices. With the HLRS project “GaPSi”, researchers of the University of Marburg contribute to the developments in designing and producing optically active compound semiconductor materials that can be integrated into conventional silicon-based technology.

Principal Investigator: PD Dr. Ralf Tonner, Philipps-Universität Marburg (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: December 2016
More: Realistic Modeling of Semiconductor Properties by First Principles Calculations …

High Performance Computing for Welding Analysis

High Performance Computing for Welding Analysis

As an integral part of the PRACE SHAPE project HPC Welding, the parallel solvers of the Finite Element Analysis software LS-DYNA were used by Ingenieurbüro Tobias Loose to perform a welding analysis on HLRS HPC system Hazel Hen. A variety of test cases relevant for industrial applications had been set up with DynaWeld, a welding and heat treatment pre-processor for LS-DYNA, and were run on different numbers of compute cores to test its scaling capabilities.

Principal Investigator: Tobias Loose, Ingenieurbüro Loose, Wössingen (Germany)
HPC Platform: Hazel Hen of HLRS - Date published: December 2016
More: High Performance Computing for Welding Analysis …

Binary Neutron Star Mergers

Binary Neutron Star Merger Simulations

The recent observations of gravitational waves (GWs) marked a breakthrough and inaugurated the field of GW astronomy. To extract information from a detection, the measured signal needs to be cross-correlated with a template family. However, due to the nonlinearity of Einstein’s equations, numerical simulations have to be used to study systems with gravitational fields strong enough to emit GWs. This project focused on the simulation of systems consisting of two neutron stars and investigated the effect of the mass ratio and the influence of the spin of the individual stars.
  
Principal Investigators: Bernd Brügmann, Friedrich-Schiller-University, Jena, and Tim Dietrich, Max Planck Institute for Gravitational Physics (Albert Einstein Institute), Potsdam-Golm (Germany)
HPC Platform: SuperMUC of LRZ - Date published: December 2016
More: Binary Neutron Star Merger Simulations …

Towards Large-Eddy/Filtered-Density Function Simulations of Turbulent Sooting Flames

Towards Large-Eddy/Filtered-Density Function Simulations of Turbulent Sooting Flames

Researchers at the Institute of Combustion Technology at the German Aerospace Center (DLR) use petascale HPC system SuperMUC at LRZ in Munich for the simulation of soot evolution in lifted, turbulent, ethylene-air jet flames. The scope of their work is to develop and analyze simulation techniques for turbulent combustion with focus on soot predictions. The long-term objective is to develop validated high fidelity simulation techniques for soot predictions in turbulent combustion systems such as aeroengines.

Principal Investigator: Apl.-Prof. Dr. P. Gerlinger, Institute of Combustion Technology, German Aerospace Center (DLR), Stuttgart (Germany)
HPC Platform: SuperMUC of LRZ - Date published: December 2016
More: Towards Large-Eddy/Filtered-Density Function Simulations of Turbulent Sooting Flames …

Precession Driven Flows in Planets

Precession Driven Flows in Planets

Researchers at the University of Münster investigated precession driven flows in planets by direct numerical simulations on the JUQUEEN cluster. Precession of the rotation axis is an often neglected driving mechanism for flows in planetary cores, a field of research were other scientists mainly focus on the influence of thermal or chemical effects. As an additional complication that moves the models closer to the physical reality, the project considered the spheroidal shape of the planet, whereas previous research has been focused on the idealized case of a perfect sphere.
  
Principal Investigator: Ulrich Hansen, Institut für Geophysik, Westfälische Wilhelms-Universität Münster (Germany)
HPC Platform: JUQUEEN of JSC - Date published: November 2016
More: Precession Driven Flows in Planets …

Buoyant-Convectively Driven Heat and Ggas Exchange

Buoyant-Convectively Driven Heat and Gas Exchange

Gas exchange across water surfaces receives increasing attention because of its importance to the global greenhouse budget. At present, most models used to estimate the gas flux only consider wind-shear. To improve the accuracy of the predictions a detailed study of buoyancy-driven gas transfer, which is a major contributor at low to moderate wind-speed, is necessary.  The main challenge lies in resolving the extremely thin gas concentration boundary layer. To address this, direct numerical simulations (DNS) of gas transfer induced by surface-cooling were performed on SuperMUC using a numerical scheme that is capable of resolving the thin diffusive layers on a relatively coarse mesh while avoiding spurious oscillations of the scalar quantity.

Principal Investigator: Herlina Herlina, Institute for Hydromechanics, Karlsruhe Institute of Technology (KIT), Germany
HPC Platform: SuperMUC of LRZ - Date published: November 2016
More: Buoyant-Convectively Driven Heat and Gas Exchange …

EXASTEEL - Bridging Scales for Multiphase Steels

EXASTEEL - Bridging Scales For Multiphase Steels

The project EXASTEEL is concerned with parallel implicit solvers for multiscale problems in structural mechanics discretized using finite elements. It is focussed on modern high strength steel materials. The higher strength and better ductility of these materials largely stems from the carefully engineered grain structure at the microscale. The computational simulations used therefore take into account the microstructure, but without resorting to a brute force discretization (which will be out of reach for the foreseeable future). The researchers' approach combines a computational multiscale approach well known in engineering (FE) with state-of-the-art parallel scalable iterative implicit solvers developed in mathematics.

Principal Investigators: Axel Klawonn, Mathematical Institute of the University of Cologne (Germany) and Oliver Rheinbach, Institute of Numerical Analysis and Optimization, Technische Universität Bergakademie Freiberg (Germany)
HPC Platform: JUQUEEN of JSC - Date published: November 2016
More: EXASTEEL - Bridging Scales For Multiphase Steels …

GRSimStar - General Relativistic Simulations of Binary Neutron Star Mergers

GRSimStar - General Relativistic Simulations of Binary Neutron Star Mergers

What can we learn from some of the most powerful explosions in the universe? Researchers in Italy, USA, and Japan joined forces to study, via computer simulations in general relativity, what happens when two neutron stars in a binary system finally merge. Besides black holes, neutron stars are the most compact objects ever observed. Their collisions can produce bright electromagnetic emission and strong gravitational waves. Understanding how to relate the different signals with the properties of neutron stars may allow us to understand how matter behaves in conditions so extreme that cannot be reproduced on Earth.
  
Principal Investigator: Bruno Giacomazzo, University of Trento and INFN-TIFPA, Trento, Italy
HPC Platform: SuperMUC of LRZ - Date published: November 2016
More: GRSimStar - General Relativistic Simulations of Binary Neutron Star Mergers …

Crystallization of Amorphous Phase Change Memory Material: Molecular Dynamics Simulations

Crystallization of Amorphous Phase Change Memory Material: Molecular Dynamics Simulations

Rewritable optical storage media, such as the digital versatile disk (DVD-RW) and Blu-Ray Disc, are based on the extremely rapid and reversible crystallization of amorphous “bits” in thin polycrystalline layers of special alloy materials. The ultimate limit to the speed (and therefore usefulness) of such devices is the speed of crystallization of the amorphous structure, and the nature of the process has been the subject of much speculation. Insight is provided by simulations of crystallization of an amorphous alloy of germanium, antimony, and tellurium (GST) that is widely used as a component of commercial optical memories.

Principal Investigator: Robert O. Jones, Forschungszentrum Jülich (Germany)
HPC Platform: JUQUEEN of JSC - Date published: November 2016
More: Crystallization of Amorphous Phase Change Memory Material: Molecular Dynamics Simulations …

DNS of Turbulent Oxy-Fuel Flames

Direct Numerical Simulation of Turbulent Oxy-Fuel Flames

The direct numerical simulation performed in the course of this project – run on SuperMUC at LRZ – investigated a temporally evolving non-premixed syngas jet flame. Results of this simulation were used to validate a recently published set of extended model equations for the reaction zone dynamics in non-premixed combustion. Furthermore, the dataset was used to analyze the importance of curvature induced transport phenomena. Regions could be identified where curvature has a significant impact on the flame structure.

Principal Investigator: Christian Hasse, Numerical Thermo-Fluid Dynamics, Technische Universität Bergakademie Freiberg (Germany)
HPC Platform: SuperMUC of LRZ - Date published: November 2016
More: Direct Numerical Simulation of Turbulent Oxy-Fuel Flames …

Steering Complex Chemical Reactions by Mechanical Forces

Steering Complex Chemical Reactions by Mechanical Forces

Disulfide bonds are known to stabilize protein structures by imposing covalent cross-links. More recently they have been found to regulate protein activity as well by undergoing chemical reactions themselves. However, the chemistry of disulfide bond cleavage reactions is astonishingly rich and includes also β-elimination reactions in alkaline solution instead of the usual nucleophilic substitution at one of the sulfur atoms. Using HPC system JUQUEEN, an international team of scientists computationally studied both reaction channels as a function of increasingly large mechanical forces.

Principal Investigator: Dominik Marx, Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum (Germany)
HPC Platform: JUQUEEN of JSC - Date published: November 2016
More: Steering Complex Chemical Reactions by Mechanical Forces …

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