High Performance Computing in Science and Engineering ´16: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2016

Front Matter....Pages i-ix
Front Matter....Pages 1-3
The Illustris++ Project: The Next Generation of Cosmological Hydrodynamical Simulations of Galaxy Formation....Pages 5-20
Hydrangea: Simulating a Representative Population of Massive Galaxy Clusters....Pages 21-32
PAMOP Project: Computations in Support of Experiments and Astrophysical Applications....Pages 33-48
Estimation of Nucleation Barriers from Simulations of Crystal Nuclei Surrounded by Fluid in Equilibrium....Pages 49-59
The Internal Dynamics and Early Adsorption Stages of Fibrinogen Investigated by Molecular Dynamics Simulations....Pages 61-78
Vorticity, Variance, and the Vigor of Many-Body Phenomena in Ultracold Quantum Systems: MCTDHB and MCTDH-X....Pages 79-96
Nucleon Observables as Probes for Physics Beyond the Standard Model....Pages 97-105
Numerical Evaluation of Multi-loop Feynman Integrals....Pages 107-112
Front Matter....Pages 113-116
Mechanochemistry of Ring-Opening Reactions: From Cyclopropane in the Gas Phase to Thiotic Acid on Gold in the Liquid Phase....Pages 117-130
Microscopic Insights into the Fluorite/Water Interfaces from Vibrational Sum Frequency Generation Spectroscopy....Pages 131-143
Growth, Structural and Electronic Properties of Functional Semiconductors Studied by First Principles....Pages 145-162
Submonolayer Rare Earth Silicide Thin Films on the Si(111) Surface....Pages 163-175
Computational Analysis of Li Diffusion in NZP-Type Materials by Atomistic Simulation and Compositional Screening....Pages 177-187
Molecular Dynamics Simulations of Silicon: The Influence of Electron-Temperature Dependent Interactions....Pages 189-202
Non-linear Quantum Transport in Interacting Nanostructures....Pages 203-225
Front Matter....Pages 227-228
A DNS Analysis of the Correlation of Heat Release Rate with Chemiluminescence Emissions in Turbulent Combustion....Pages 229-243
Direct Numerical Simulation of Non-premixed Syngas Combustion Using OpenFOAM....Pages 245-257
Numerical Simulations of Rocket Combustion Chambers with Supercritical Injection....Pages 259-268
Two-Zone Fluidized Bed Reactors for Butadiene Production: A Multiphysical Approach with Solver Coupling for Supercomputing Application....Pages 269-280
Front Matter....Pages 281-287
High-Pressure Real-Gas Jet and Throttle Flow as a Simplified Gas Injector Model Using a Discontinuous Galerkin Method....Pages 289-300
Front Matter....Pages 281-287
Modeling of the Deformation Dynamics of Single and Twin Fluid Droplets Exposed to Aerodynamic Loads....Pages 301-320
Smoothed Particle Hydrodynamics for Numerical Predictions of Primary Atomization....Pages 321-336
Towards Solving Fluid Flow Domain Identification Problems with Adjoint Lattice Boltzmann Methods....Pages 337-353
Investigation on Air Entrapment in Paint Drops Under Impact onto Dry Solid Surfaces....Pages 355-374
Numerical Study of the Impact of Praestol® Droplets on Solid Walls....Pages 375-388
Turbulent Skin-Friction Drag Reduction at High Reynolds Numbers....Pages 389-398
Control of Spatially Developing Turbulent Boundary Layers for Skin Friction Drag Reduction....Pages 399-411
Scalability of OpenFOAM with Large Eddy Simulations and DNS on High-Performance Systems....Pages 413-424
Numerical Simulation of Subsonic and Supersonic Impinging Jets II....Pages 425-441
Aeroacoustic Simulations of Ducted Axial Fan and Helicopter Engine Nozzle Flows....Pages 443-460
Adding Hybrid Mesh Capability to a CFD-Solver for Helicopter Flows....Pages 461-471
Direct Numerical Simulation of Heated Pipe Flow with Strong Property Variation....Pages 473-486
CFD Analysis of Fast Transition from Pump Mode to Generating Mode in a Reversible Pump Turbine....Pages 487-498
Scale Resolving Flow Simulations of a Francis Turbine Using Highly Parallel CFD Simulations....Pages 499-510
CFD Simulations of Thermal-Hydraulic Flows in a Model Containment: Phase Change Model and Verification of Grid Convergence....Pages 511-528
Simulations of Unsteady Aerodynamic Effects on Innovative Wind Turbine Concepts....Pages 529-543
Front Matter....Pages 545-546
Simulation of the Rain Belt of the West African Monsoon (WAM) in High Resolution CCLM Simulation....Pages 547-558
Anthropogenic Aerosol Emissions and Rainfall Decline in South-West Australia....Pages 559-576
High-Resolution Climate Projections Using the WRF Model on the HLRS....Pages 577-587
Biogeophysical Impacts of Land Surface on Regional Climate in Central Vietnam....Pages 589-600
Front Matter....Pages 545-546
Reducing the Uncertainties of Climate Projections: High-Resolution Climate Modeling of Aerosol and Climate Interactions on the Regional Scale Using COSMO-ART: Interaction of Mineral Dust with Atmospheric Radiation over West-Africa....Pages 601-607
Front Matter....Pages 609-611
Large-Scale Phase-Field Simulations of Directional Solidified Ternary Eutectics Using High-Performance Computing....Pages 613-634
Seismic Applications of Full Waveform Inversion....Pages 635-646
A Massively Parallel Multigrid Method with Level Dependent Smoothers for Problems with High Anisotropies....Pages 647-665
....Pages 667-675