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

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 CHX 3 (X=F,C1)....Pages 221-227
Hydrophobic Solvation in Liquid Water Via Car-Parrinello Molecular Dynamics: Progress and First Results....Pages 228-239
 Ab initio Molecular Dynamics Simulation of Hydrogen Fluoride at Several Thermodynamic States....Pages 240-247
Quantum Chemical Calculations of Transition Metal Complexes....Pages 248-259
Computer Simulation of Protein Unfolding....Pages 260-268
Computational Fluid Dynamics....Pages 269-271
DNS of Active Control of Disturbances in a Blasius Boundary Layer....Pages 273-285
Statistical Analysis of a Turbulent Adverse Pressure Gradient Boundary Layer....Pages 286-297
Simulation of Bidisperse Bubbly Gas-Liquid Flows by a Parallel Finite-Difference/Front-Tracking Method....Pages 298-308
Vortex Shedding in the Turbulent Wake of a Sphere at Subcritical Reynolds Number....Pages 309-316
Assumed PDF Modeling with Detailed Chemistry....Pages 317-328
A 3D Hydrodynamic Simulation for the Cygnus A Jet as a Prototype for High Redshift Radio Galaxies....Pages 329-341
Parallel Computation of the Time Dependent Velocity Evolution for Strongly Deformed Droplets....Pages 342-351
Simulation of Two-Phase Flow in Pipes....Pages 352-362
Computational Study of the Flow in an Axial Turbine with Emphasis on the Interaction of Labyrinth Seal Leakage Flow and Main Flow....Pages 363-374
Numerical Simulation of Rotating Stall in an Axial Compressor....Pages 375-385
Euler and Navier-Stokes Solutions for Flapping Wing Propulsion....Pages 386-395
Hindcasting the Uptake of Anthropogenic Trace Gases with an Eddy-Permitting Model of the Atlantic Ocean....Pages 396-405
Flow with Chemical Reactions....Pages 407-408
Implementation of Complex Chemical Reaction Mechanisms Into a 3D Furnace Simulation Code....Pages 409-417
Direct Numerical Simulation of Turbulent Flame Kernels Using HPC....Pages 418-432
Direct Numerical Simulations of Spark Ignition of H 2 /Air-Mixture in a Turbulent Flow....Pages 433-441
Detailed Simulation of Transport Processes in Reacting Multi-Species Flows Through Complex Geometries by Means of Lattice Boltzmann Methods....Pages 442-452
Structural Mechanics....Pages 454-454
Numerical Modelling of Geotechnical Boundary Value Problems....Pages 455-468
Wave Propagation in Heterogeneous Media. Part 1: Effective Velocities in Fractured Media....Pages 469-475
Wave Propagation in Heterogeneous Media. Part 2: Attenuation of Seismic Waves Due to Scattering....Pages 476-482
Computer Science....Pages 483-483
Fast Parallel Particle Simulations on Distributed Memory Architectures....Pages 485-499
High-accuracy Simulation of Density Driven Flow in Porous Media....Pages 500-511
ParWave: Parallel Wavelet Video Coding....Pages 512-526
Compiler-Generated Vector-based Prefetching on Architectures with Distributed Memory....Pages 527-539
Back Matter....Pages 541-542