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High Performance Computing in Science and Engineering ' 06

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The last two years have been great for high performance computing in Baden- W¨ urttemberg and beyond. In July 2005, the new building for HLRS as well as Stuttgart’s new NEC supercomputer – which is still leading edge in G- many – have been inaugurated. In these days, the SSC Karlsruhe is ?nalizing the installation of a very large high performance system complex from HP, built from hundreds of Intel Itanium processors and more than three th- sand AMD Opteron cores. Additionally, the fast network connection – with a bandwidth of 40Gbit/s and thus one of the ?rst installations of this kind in Germany – brings the machine rooms of HLRS and SSC Karlsruhe very close together. With the investment of more than 60 Million Euro, we – as the users of such a valuable infrastructure – are not only thankful to science managers and politicians, but also to the people running these components as part of their daily business, on a 24-7 level. Sinceabout18months,therearelotsofactivitiesonallscienti?c,advisory, and political levels to decide if Germany will install an even larger European supercomputer, where the hardware costs alone will be around 200 Million Euro for a ?ve year period. There are many good reasons to invest in such a program because – beyond the infrastructure – such a scienti?c research tool will attract the best brains to tackle the problems related to the software and methodology challenges.

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Publié par
Ajouté le 26 juillet 2007
EAN13 9783540361831
Licence : Tous droits réservés
Langue English
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Contents
Physics H. Ruder and R. Speith. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Gravitational Wave Signals from Simulations of Black Hole Dynamics B. Brügmann, J. Gonzalez, M. Hannam, S. Husa, P. Marronetti, U. Sperhake, and W. Tichy. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
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The SuperN-Project: Understanding Core Collapse Supernovae A. Marek, K. Kifonidis, H.-Th. Janka, and B. Müller. . . . . . . . . . . . . . . .19
MHD Code Optimizations and Jets in Dense Gaseous Halos V. Gaibler, M. Vigelius, M. Krause, and M. Camenzind. . . . . . . . . . . . . .35
Anomalous Water Optical Absorption: Large-ScaleFirst-PrinciplesSimulations W.G. Schmidt, S. Blankenburg, S. Wippermann, A. Hermann, P.H. Hahn, M. Preuss, K. Seino, and F. Bechstedt. . . . . . . . . . . . . . . . . . .49
The Electronic Structures of Nanosystems: Calculating the Ground States of Sodium Nanoclusters and the Actuation of Carbon Nanotubes B. Huber, L. Pastewka, P. Koskinen, M. Moseler. . . . . . . . . . . . . . . . . . . .59
Object-Oriented SPH-Simulations with Surface Tension S. Ganzenmüller, A. Nagel, S. Holtwick, W. Rosenstiel, and H. Ruder. .69
Simulations of Particle Suspensions at the Institute for Computational Physics J. Harting, M. Hecht, and H. Herrmann. . . . . . . . . . . . . . . . . . . . . . . . . . . .83
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Solid State Physics W. Hanke. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Nano-Systems in External Fields and Reduced Geometry: Numerical Investigations P. Henseler, C. Schieback, K. Franzrahe, F. Bürzle, M. Dreher, J. Neder, W. Quester, M. Kläui, U. Rüdiger, and P. Nielaba. . . . . . . . . .
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Signal Transport and Finite Bias Conductance in and Through Correlated Nanostructures P. Schmitteckert and G. Schneider. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .113
Atomistic Simulations of Dislocation – Crack Interaction E. Bitzek and P. Gumbsch. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .127
Monte Carlo Simulations of Strongly Correlated and Frustrated Quantum Systems C. Lavalle, S.R. Manmana, S. Wessel, and A. Muramatsu. . . . . . . . . . . .137
Chemistry C. van Wüllen. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .153
Characterization of Catalyst Surfaces by STM Image Calculations R. Kovacik, B. Meyer, and D. Marx. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .155
Theoretical Investigation of the Self-Diffusion on Au(100) K. Pötting, T. Jacob, and W. Schmickler. . . . . . . . . . . . . . . . . . . . . . . . . . .171
TrpAQP: Computer Simulations to Determine the Selectivity of Aquaporins M. Dynowski and U. Ludewig. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .187
Computational Fluid Dynamics S. Wagner. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .199
Direct Numerical Simulation and Analysis of the Flow Field Around a Swept Laminar Separation Bubble T. Hetsch and U. Rist. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .205
Direct Numerical Simulation of Primary Breakup Phenomena in Liquid Sheets W. Sander and B. Weigand. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .223
Direct Numerical Simulation of Mixing and Chemical Reactions in a Round Jet into a Crossflow – a Benchmark J.A. Denev, J. Fröhlich,and H. Bockhorn. . . . . . . . . . . . . . . . . . . . . . . . . . .237
Numerical Simulation of the Bursting O. Marxen and D. Henningson. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .253
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Parallel Large Eddy Simulation with UG A. Hauser and G. Wittum. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .269
LES and DNS of Melt Flow and Heat Transfer in Czochralski Crystal Growth A. Raufeisen, M. Breuer, V. Kumar, T. Botsch, and F. Durst. . . . . . . . .279
Efficient Implementation of Nonlinear Deconvolution Methods for Implicit Large-Eddy Simulation S. Hickel and N.A. Adams. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .293
Large-Eddy Simulation of Tundish Flow N. Alkishriwi, M. Meinke, and W. Schröder. . . . . . . . . . . . . . . . . . . . . . . . .307
Large Eddy Simulation of Open-Channel Flow Over Spheres T. Stoesser and W. Rodi. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .321
Prediction of the Resonance Characteristics of Combustion Chambers on the Basis of Large-Eddy Simulation F. Magagnato, B. Pritz, H. Büchner, and M. Gabi. . . . . . . . . . . . . . . . . . .331
Investigations of Flow and Species Transport in Packed Beds by Lattice Boltzmann Simulations T. Zeiser. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .343
Rheological Properties of Binary and Ternary Amphiphilic Fluid Mixtures J. Harting and G. Giupponi. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .355
The Effects of Vortex Generator Arrays on Heat Transfer and Flow Field C.F. Dietz, M. Henze, S.O. Neumann, J. von Wolfersdorf, and B. Weigand. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .365
Investigation of the Influence of the Inlet Geometry on the Flow in a Swirl Burner M. Garc´ıa-Villalba, J. Fröhlich, and W. Rodi. . . . . . . . . . . . . . . . . . . . . . . .381
Numerical Investigation and Simulation of Transition Effects in Hypersonic Intake Flows M. Krause, B. Reinartz, and J. Ballmann. . . . . . . . . . . . . . . . . . . . . . . . . . .391
Aeroelastic Simulations of Isolated Rotors Using Weak Fluid-Structure Coupling M. Dietz, M. Kessler, and E. Krämer. . . . . . . . . . . . . . . . . . . . . . . . . . . . . .407
Computational Study of the Aeroelastic Equilibrium Configuration of a Swept Wind Tunnel Wing Model in Subsonic Flow L. Reimer, C. Braun, and J. Ballmann. . . . . . . . . . . . . . . . . . . . . . . . . . . . .421
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Contents
Structural Mechanics P. Wriggers. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .435
Numerical Prediction of the Residual Stress State after Shot Peening M. Klemenz, M. Zimmermann, V. Schulze, and D. Löhe. . . . . . . . . . . . . .437
Computer-Aided Destruction of Complex Structures by Blasting S. Mattern, G. Blankenhorn, and K. Schweizerhof. . . . . . . . . . . . . . . . . . . .449
Wave Propagation in Automotive Structures Induced by Impact Events S. Mattern and K. Schweizerhof. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .459
Miscellaneous Topics W. Schröder. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .471
Continental Growth and Thermal Convection in the Earth’s Mantle U. Walzer, R. Hendel, and J. Baumgardner. . . . . . . . . . . . . . . . . . . . . . . . .473
Efficient Satellite Based Geopotential Recovery O. Baur, G. Austen, and W. Keller. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .499
Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised T. Schnabel, J. Vrabec, and H. Hasse. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .515
The Application of a Black-Box Solver with Error Estimate to Different Systems of PDEs T. Adolph and W. Schönauer. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .527
Scalable Parallel Suffix Array Construction F. Kulla and P. Sanders. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .543
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