This book presents the state-of-the-art in modelling and simulation on supercomputers. Leading German research groups present their results achieved on high-end systems of the High Performance Computing Center Stuttgart (HLRS) for the year 2004. The reports cover all fields of computational science and engineering ranging from computational fluid dynamics via computational physics and chemistry to computer science. Special emphasis is given to industrially relevant applications. Presenting results for both vector-systems and micro-processor based systems the book allows to compare performance levels and usability of a variety of supercomputer architectures. In the light of the success of the Japanese Earth-Simulator this book may serve as a guide book for a US response. The book covers the main methods in high performance computing. Its outstanding results in achieving highest performance for production codes are of particular interest for both the scientist and the engineer. The book comes with a wealth of coloured illustrations and tables of results.
Physics.- Chain Conformations and Phase Behavior in Confined Polymer Blends.- Thermal Quark Anti-quark Free Energies, Energies and Screening in Hot SU(3) Gauge Theory.- Simulations of Particle Suspensions at the Institut für Computerphysik.- Numerical Modelling of Convection and Dynamo Processes in Fully Convective Stars.- Large Scale Simulation of a Cooled, Pulsed Jet in Symbiotic Stars.- Image States on the LiF(001)-(1×1) Insulator Surface.- Interaction of Jets with Galactic Winds.- Solid State Physics.- Numerical Studies of Model Colloids and Nano-Wires.- Ab Initio Simulation of Clusters: Relativistic Effects in Structure and Bonding of Noble Metal Nanoparticles.- The Mixed Akali Effect in Ternary Alkali Silicate Melts: Insight from Molecular Dynamics Computer simulations.- Methylchloride Adsorption on Si(001) Electronic Properties.- Dynamics and Criticality of Correlated Electrons and Quantum Gases.- Electron-doping Evolution of the Quasiparticle Band of the Cuprates.- Computational Fluid Dynamics.- Investigation of Hypersonic Flat-plate Boundary-layer Transition by Direct Numerical Simulation.- DNS Study of spatial discrete suction for Laminar Flow Control.- LES of Shock Wave/Turbulent Boundary Layer Interaction.- Large-eddy Simulation of Incompressible Flow Around a Sphere with Trip Wire at Re = 50 000.- LES of Passive Heat Transfer in a Turbine Cascade.- Enhanced Mixing in Supersonic Combustion.- Numerical Study of the Influence of Dynamic Pressure and Deflected Ailerons on the Deformation of a High Speed Wing Model.- Numerical High Lift Research II/III.- Numerical Simulation of Electrostatic Spray-painting Processes in the Automotive Industry.- Combination of Detailed CFD Simulations Using the Lattice Boltzmann Method and Experimental Measurements Using the NMR/MRI Technique.- Recent Improvements of the Parallel-Multiblock URANUS 3D Nonequilibrium Code.- Chemistry.- The Iron(III) Catalyzed Michael Reaction Reactivity Differences Between Several Different Acceptors.- Potential Energy Surfaces of Unusual Double Proton Transfer Reactions.- Quantum Reactive Scattering for Ion-neutral Collisions: The H 3 ? -system.- Glycine at the Water / Pyrite Interface Under Extreme Pressure / Temperature Conditions.- Computer Science.- Performance Analysis of NEC Computers by Using the PARbench Benchmark System.- SKaMPI Towards Version 5.- Earth Sciences.- Numerical Considerations of Fluid Effects on Wave Propagation.- Toward a Thermochemical Model of the Evolution of the Earth's Mantle.