High Performance Computing in Science and Engineering 2001 : Transactions for the High Performance Computing Center, Stuttgart (HLRS) 2001

by Krause, Egon; Jager, Willi; High-Performance Computing Center; Workshop on High-Performance Computing in Science and Engineering 2001

• ISBN13: 9783540426752
• ISBN10: 3540426752
• Edition: 1st
• Format: Hardcover
• Copyright: 2002-06-01
• Publisher: Springer Verlag

Summary

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.

Table of Contents

Preface	v
E. Krause
W. Jager
Physics
Preface	1	(2)
H. Ruder
R. Speith
Simulation of Dislocations in Icosahedral Quasicrystals with IMD	3	(9)
G. Schaaf
F. Gahler
C. Kohler
U. Koschella
N. Resta
J. Roth
C. Rudhart
H.-R. Trebin
Buoyancy Driven Convection in Rotating Spherical Shells and Its Dynamo Action	12	(23)
E. Grote
F.H. Busse
R. Simitev
Finite-Difference Simulations of Seismic Wavefields in Isotropic and Anisotropic Earth Models	35	(13)
T. Ryberg
G. Rumpker
M. Tittgemeyer
F. Wenzel
Collisional Dynamics of Black Holes, Star Clusters and Galactic Nuclei	48	(20)
M. Hemsendorf
H. Baumgardt
C. Boily
R. Spurzem
S. Sigurdsson
The Computation of Highly Excited Hyperbolic 3D-Eigenmodes and Their Application to Quantum Chaos and Cosmology	68	(12)
R. Aurich
Propagation of Herbig-Haro Jets Through Inhomogeneous Molecular Clouds	80	(12)
M. Thiele
M. Camenzind
Phase Transitions and Quantum Effects in Systems with Reduced Geometry	92	(12)
J. Hoffmann
P. Nielaba
Probing Hot Quantum Chromodynamics with a Complex Chemical Potential	104	(15)
A. Hart
M. Laine
O. Philipsen
Solid State Physics
Preface	115	(4)
W. Hanke
Destruction of Superfluid and Long Range Order by Impurities in Two Dimensional Systems	119	(12)
K. Bernardet
G.G. Batrouni
M. Toyer
A. Dorneich
Density-Matrix Algorithm for Phonon Hilbert Space Reduction in the Numerical Diagonalization of Quantum Many-Body Systems	131	(14)
A. Weiße
G. Wellein
H. Fehske
Single Hole Dynamics in Correlated Insulators	145	(12)
M. Brunner
C. Lavalle
S. Capponi
M. Feldbacher
F.F. Assaad
A. Muramatsu
Impurities in a Hubbard-chain	157	(10)
C. Schuster
P. Brune
U. Eckern
Band to Mott Insulator Transition in the Ionic Hubbard Model	167	(11)
P. Brune
A.P. Kampf
GaAs and InAs (001) Surface Structures from Large-scale Real-space Multigrid Calculations	178	(11)
W.G. Schmidt
P.H. Hahn
F. Bechstedt
The Role of the Geometric Structure for Electronic Excitations of Molecules and Surfaces	189	(13)
M. Rohlfing
Structural and Vibronic Properties of the Dihydride-terminated Si(001) Surface	202	(8)
U. Freking
A. Mazur
J. Pollmann
Interplay of Phase Fluctuations and Electronic Excitations in High-Temperature Superconductors - A Monte Carlo Simulation	210	(11)
T. Eckl
E. Arrigoni
W. Hanke
D.J. Scalapino
Chemistry
Preface	219	(2)
B.A. Hess
Improper, Blue-shifting Hydrogen Bond Between Fluorobenzene and CHX3 (X=F,CI)	221	(7)
B. Brutschy
P. Hobza
Hydrophobic Solvation in Liquid Water Via Car-Parrinello Molecular Dynamics: Progress and First Results	228	(12)
B. Kirchner
D. Marx
Ab initio Molecular Dynamics Simulation of Hydrogen Fluoride at Several Thermodynamic States	240	(8)
M. Kreitmeir
J.J. Mortensen
H. Bertagnolli
M. Parrinello
Quantum Chemical Calculations of Transition Metal Complexes	248	(12)
J. Frunzke
G. Frenking
Computer Simulation of Protein Unfolding	260	(13)
A.D. Gruia
S. Fischer
J.C. Smith
Computational Fluid Dynamics
Preface	269	(4)
S. Wagner
DNS of Active Control of Disturbances in a Blasius Boundary Layer	273	(13)
C. Gmelin
U. Rist
S. Wagner
Statistical Analysis of a Turbulent Adverse Pressure Gradient Boundary Layer	286	(12)
M. Manhart
T. Huttl
Simulation of Bidisperse Bubbly Gas-Liquid Flows by a Parallel Finite-Difference/Front-Tracking Method	298	(11)
M.F. Goz
B. Bunner
M. Sommerfeld
G. Tryggvason
Vortex Shedding in the Turbulent Wake of a Sphere at Subcritical Reynolds Number	309	(8)
M. Schmid
V. Bakic
M. Peric
Assumed PDF Modeling with Detailed Chemistry	317	(12)
P. Gerlinger
M. Aigner
A 3D Hydrodynamic Simulation for the Cygnus A Jet as a Prototype for High Redshift Radio Galaxies	329	(13)
M. Krause
M. Camenzind
Parallel Computation of the Time Dependent Velocity Evolution for Strongly Deformed Droplets	342	(10)
M. Hase
M. Rieber
F. Graf
N. Roth
B. Weigand
Simulation of Two-Phase Flow in Pipes	352	(11)
T. Giese
E. Laurien
Computational Study of the Flow in an Axial Turbine with Emphasis on the Interaction of Labyrinth Seal Leakage Flow and Main Flow	363	(12)
J.E. Anker
J.F. Mayer
H. Stetter
Numerical Simulation of Rotating Stall in an Axial Compressor	375	(11)
F. Ginter
A. Ruprecht
E. Gode
Euler and Navier-Stokes Solutions for Flapping Wing Propulsion	386	(10)
M.F. Neef
D. Hummel
Hindcasting the Uptake of Anthropogenic Trace Gases with an Eddy-Permitting Model of the Atlantic Ocean	396	(13)
R. Redler
J.-O. Beismann
L. Czeschel
C. Volker
J. Dengg
C.W. Boning
Flow with Chemical Reactions
Preface	407	(2)
D. Kroner
Implementation of Complex Chemical Reaction Mechanisms Into a 3D Furnace Simulation Code	409	(9)
A. Berreth
F. Ruckert
D. Fortsch
B. Risio
U. Schnell
K.R.G. Hein
Direct Numerical Simulation of Turbulent Flame Kernels Using HPC	418	(15)
M. Lange
Direct Numerical Simulations of Spark Ignition of H2/Air-Mixture in a Turbulent Flow	433	(9)
W. Tsai
D. Schmidt
U. Maas
Detailed Simulation of Transport Processes in Reacting Multi-Species Flows Through Complex Geometries by Means of Lattice Boltzmann Methods	442	(13)
T. Zeiser
H. Freund
J. Bernsdorf
P. Lammers
G. Brenner
F. Durst
Structural Mechanics
Preface	453	(2)
P. Wriggers
Numerical Modelling of Geotechnical Boundary Value Problems	455	(30)
H. Hugel
Wave Propagation in Heterogeneous Media
Part 1: Effective Velocities in Fractured Media	469	(7)
E.H. Saenger
H. Priller
C. Grosse
P. Hubral
S.A. Shapiro
Wave Propagation in Heterogeneous Media
Part 2: Attenuation of Seismic Waves Due to Scattering	476	(7)
T.M. Muller
C. Sick
S.A. Shapiro
Computer Science
Preface	483	(2)
C. Zenger
Fast Parallel Particle Simulations on Distributed Memory Architectures	485	(15)
M. Hipp
S. Kunze
M. Ritt
W. Rosenstiel
H. Ruder
High-accuracy Simulation of Density Driven Flow in Porous Media	500	(12)
P. Bastian
K. Johannsen
S. Lang
C. Wieners
V. Reichenberger
G. Wittum
ParWave: Parallel Wavelet Video Coding	512	(15)
M. Feil
R. Kutil
R. Norcen
A. Uhl
Compiler-Generated Vector-based Prefetching on Architectures with Distributed Memory	527
M.M. Muller