Ebook: High Performance Computing in Science and Engineering ’01: Transactions of the High Performance Computing Center Stuttgart (HLRS) 2001

The state of the art in supercomputing is summarized in this volume. The book presents selected results of the projects of the High Performance Computing Center Stuttgart (HLRS) for the year 2001. Together these contributions provide an overview of recent developments in high performance computing and simulation. Reflecting the close cooperation of the HLRS with industry, special emphasis has been put on the industrial relevance of the presented results and methods. The book therefore becomes a collection of showcases for an innovative usage of state-of-the-art modeling, novel numerical algorithms and the use of leading edge high performance computing systems in a GRID-like environment.

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Content:
Front Matter....Pages I-XIII
Physics....Pages 1-2
Simulation of Dislocations in Icosahedral Quasicrystals with IMD....Pages 3-11
Buoyancy Driven Convection in Rotating Spherical Shells and Its Dynamo Action....Pages 12-34
Finite-Difference Simulations of Seismic Wavefields in Isotropic and Anisotropic Earth Models....Pages 35-47
Collisional Dynamics of Black Holes, Star Clusters and Galactic Nuclei....Pages 48-67
The Computation of Highly Excited Hyperbolic 3D-Eigenmodes and Their Application to Quantum Chaos and Cosmology....Pages 68-79
Propagation of Herbig-Haro Jets Through Inhomogeneous Molecular Clouds....Pages 80-91
Phase Transitions and Quantum Effects in Systems with Reduced Geometry....Pages 92-103
Probing Hot Quantum Chromodynamics with a Complex Chemical Potential....Pages 104-114
Solid State Physics....Pages 115-117
Destruction of Superfluid and Long Range Order by Impurities in Two Dimensional Systems....Pages 119-130
Density-Matrix Algorithm for Phonon Hilbert Space Reduction in the Numerical Diagonalization of Quantum Many-Body Systems....Pages 131-144
Single Hole Dynamics in Correlated Insulators....Pages 145-156
Impurities in a Hubbard-chain....Pages 157-166
Band to Mott Insulator Transition in the Ionic Hubbard Model....Pages 167-177
GaAs and InAs (001) Surface Structures from Large-scale Real-space Multigrid Calculations....Pages 178-188
The Role of the Geometric Structure for Electronic Excitations of Molecules and Surfaces....Pages 189-201
Structural and Vibronic Properties of the Dihydride-terminated Si(OOl) Surface....Pages 202-209
Interplay of Phase Fluctuations and Electronic Excitations in High-Temperature Superconductors — A Monte Carlo Simulation....Pages 210-218
Chemistry....Pages 219-220
Improper, Blue-shifting Hydrogen Bond Between Fluorobenzene and CHX3 (X=F,C1)....Pages 221-227
Hydrophobic Solvation in Liquid Water Via Car-Parrinello Molecular Dynamics: Progress and First Results....Pages 228-239
Quantum Chemical Calculations of Transition Metal Complexes....Pages 240-247
Computer Simulation of Protein Unfolding....Pages 248-259
Computational Fluid Dynamics....Pages 260-268
DNS of Active Control of Disturbances in a Blasius Boundary Layer....Pages 269-271
Statistical Analysis of a Turbulent Adverse Pressure Gradient Boundary Layer....Pages 273-285
Simulation of Bidisperse Bubbly Gas-Liquid Flows by a Parallel Finite-Difference/Front-Tracking Method....Pages 286-297
Vortex Shedding in the Turbulent Wake of a Sphere at Subcritical Reynolds Number....Pages 298-308
Assumed PDF Modeling with Detailed Chemistry....Pages 309-316
A 3D Hydrodynamic Simulation for the Cygnus A Jet as a Prototype for High Redshift Radio Galaxies....Pages 317-328
Parallel Computation of the Time Dependent Velocity Evolution for Strongly Deformed Droplets....Pages 329-341
Simulation of Two-Phase Flow in Pipes....Pages 342-351
Computational Study of the Flow in an Axial Turbine with Emphasis on the Interaction of Labyrinth Seal Leakage Flow and Main Flow....Pages 352-362
Numerical Simulation of Rotating Stall in an Axial Compressor....Pages 363-374
Euler and Navier-Stokes Solutions for Flapping Wing Propulsion....Pages 375-385
Hindcasting the Uptake of Anthropogenic Trace Gases with an Eddy-Permitting Model of the Atlantic Ocean....Pages 386-395
Flow with Chemical Reactions....Pages 396-405
Implementation of Complex Chemical Reaction Mechanisms Into a 3D Furnace Simulation Code....Pages 407-408
Direct Numerical Simulation of Turbulent Flame Kernels Using HPC....Pages 409-417
Direct Numerical Simulations of Spark Ignition of H2/Air-Mixture in a Turbulent Flow....Pages 418-432
Detailed Simulation of Transport Processes in Reacting Multi-Species Flows Through Complex Geometries by Means of Lattice Boltzmann Methods....Pages 433-441
Structural Mechanics....Pages 442-452
Numerical Modelling of Geotechnical Boundary Value Problems....Pages 454-454
Wave Propagation in Heterogeneous Media. Part 1: Effective Velocities in Fractured Media....Pages 455-468
Wave Propagation in Heterogeneous Media. Part 2: Attenuation of Seismic Waves Due to Scattering....Pages 469-475
Computer Science....Pages 476-482
Fast Parallel Particle Simulations on Distributed Memory Architectures....Pages 483-483
High-accuracy Simulation of Density Driven Flow in Porous Media....Pages 485-499
ParWave: Parallel Wavelet Video Coding....Pages 500-511
Compiler-Generated Vector-based Prefetching on Architectures with Distributed Memory....Pages 512-526
Back Matter....Pages 527-539
....Pages 541-542