High Performance Computing in Science and Engineering, Garching/Munich 2007

by Wagner, Siegfried; Steinmetz, Matthias; Bode, Arndt; Brehm, Matthias

• ISBN13: 9783540691815
• ISBN10: 3540691812
• Format: Hardcover
• Copyright: 2009-02-28
• Publisher: Springer Verlag

Summary

"The book reports on selected projects on the High Performance Computer in Bavaria (HLRB). The projects originate from the fields of fluid dynamics, astrophysics and cosmology, computational physics including high energy physics, computational chemistry and materials sciences, geophysics, biosciences, and computer sciences. Moreover, results from KONWIHR (the Competence Network for Technical and Scientific High Performance Computing in Bavaria) are presented. The articles provide an overview of the broad range of applications that require high performance computing for solving challenging problems. For each project the scientific background is described, along with the results achieved and methodology used. The book also describes the latest advances in high performance applications and reports on the performance and scaling numbers."--BOOK JACKET.

Table of Contents

Preface
Astrophysics
Numerical Simulations of Compact Binary Systems	p. 3
Ab Initio Vlasov Code Simulation of Micro-Turbulence, Phase Space Structure Formation and the Resulting Anomalous Transport and Particle Acceleration in Collisionless Astrophysical Plasmas, I: The 2D2V code	p. 19
The ART of Cosmological Simulations	p. 29
Modeling of Turbulent Flows Applied to Numerical Simulations of Galaxy Clusters	p. 45
The Onset of Convection During the Core Helium Flash	p. 57
Formation of the First Supermassive Black Holes in the Early Universe	p. 65
Star Formation in the Turbulent Interstellar Medium and Its Implications on Galaxy Evolution	p. 79
The Aquarius Project: Cold Dark Matter under a Numerical Microscope	p. 93
Biosciences
ParBaum: Large-Scale Maximum Likelihood-Based Phylogenetic Analyses	p. 111
Chemistry
A Theoretical Study of Polyoxometalates and Dendrizyme Model Compounds	p. 129
Multi Dimensional Quantum Dynamics of Chemical Reaction Processes	p. 143
Investigating Protein-Protein and Protein-Ligand Interactions by Molecular Dynamics Simulations	p. 153
Probing the Mechanical Strength of Chemical Bonds by Stretching Single Molecules	p. 165
Plane Wave Density Functional Model Studies of Chemistry at Surfaces	p. 173
Oxidative Dehydrogenation of Simple Molecules over RuO[subscript 2](110): Density Functional Theory Calculations	p. 187
Redox Catalysis and Reactivity of Metalloporphyrines	p. 201
Computational Fluid Dynamics
Numerical Optimization of Compressor Casing Treatments for Influencing the Tip Gap Vortex	p. 215
High-Performance Computing for the Investigation of the Flow Past an Airfoil with Trailing-Edge Stall	p. 227
On the Turbulence Structure in Supersonic Nozzle Flow	p. 241
Large Scale CFD for Complex Flows	p. 251
Flow Simulations of an Axial Transonic Compressor Stage	p. 261
Gyrokinetic Turbulence Simulations for Fusion Plasmas	p. 275
A Parallel CFD Solver Using the Discontinuous Galerkin Approach	p. 291
A-priori Analysis of the LMSE Micromixing Model for Filtered-Density Function Simulation in High Schmidt Number Flows	p. 303
Characterization of the Dissipation Tensor from DNS of Grid-Generated Turbulence	p. 315
Numerical Investigation of the Noise Emission from Serrated Nozzles in Coaxial Jets	p. 325
Numerical Simulation of Fluid-Structure- and Fluid-Structure-Acoustic Interaction Based on a Partitioned Coupling Scheme	p. 335
Large-Eddy Simulation of Plane Jet Injection into Supersonic Turbulent Crossflow	p. 349
Simulation of the Flow around the Stratospheric Observatory for Infrared Astronomy SOFIA Using URANS and DES	p. 365
Direct Numerical Simulation of Flame/Acoustic Interactions	p. 377
Scaling Properties of Convective Turbulence	p. 387
Compensation Mechanisms and Functionality of Transition Metal Oxide Surfaces and Interfaces: A Density Functional Theory Study	p. 709
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