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High Performance Computing in Science and Engineering ' 07 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2007

:	Wolfgang E. Nagel, Dietmar Kröner, Michael Resch
:	Wolfgang E. Nagel
:	High Performance Computing in Science and Engineering ' 07 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2007
:	Springer-Verlag
:	9783540747390
:	1
:	CHF 132.70
:

:	Wahrscheinlichkeitstheorie, Stochastik, Mathematische Statistik
:	English

:	676
:	Wasserzeichen
:	PC/MAC/eReader/Tablet
:	PDF

This book presents the state-of-the-art in simulation on supercomputers. Leading researchers present results achieved on systems of the Stuttgart High Performance Computing Center in 2007. The reports cover all fields of computational science and engineering, with emphasis on industrially relevant applications. Presenting results for both vector-based and microprocessor-based systems, the book allows comparison between performance levels and usability of various architectures.

	Physics	13
	The SuperN-Project: Current Progress in Modelling Core Collapse Supernovae	15
	1 Introduction	15
	2 Numerical Models	16
	3 The Mathematical Model	19
	4 Recent Results and Ongoing Work	24
	5 Conclusions and Outlook	27
	References	28
	Toward Conquering the Parameter Space of Gravitational Wave Signals from Black Hole Coalescence	30
	1 Introduction	30
	2 Status of the Field	32
	3 Description of the Method	35
	4 Status Report of Optimization Work	37
	5 Conclusions and Plans for Future Work	40
	References	41
	Massless Four-Loop Integrals and the Total Cross Section in e+ e- Annihilation	44
	1 Aim of the Project	44
	2 Parallel Computer Algebra	47
	3 Massless Four-Loop Integrals: s( e+ e- . hadrons)	49
	4 Massive Vacuum Integrals: .(q2) to Four Loops	51
	References	52
	Solid State Physics	76
	Simulations of Strongly Correlated Quantum Systems out of Equilibrium	79
	1 Introduction	79
	2 Adaptive Time-Dependent DMRG Method	80
	3 Spinless Fermions Following a Quantum Quench	82
	4 Atom Laser	85
	5 Summary	87
	References	88
	Computer Simulations of Soft Matter-and Nano- Systems	90
	1 Two-Dimensional Colloidal Systems in Periodic External Fields	90
	2 Transport of Colloids in Micro-Channels	94
	3 Proteins in Lipid Bilayers	97
	4 Theoretical Analysis of the Conductance and Structural Properties of Ni Nanocontacts	99
	5 Nano Shape Memory Alloys	99
	6 DFT-Investigations of Sin Clusters in External Fields	101
	7 Model Magnetic Systems	102
	References	103
	Chemistry	143
	Shared Memory Parallelization of the Multi- configuration Time- dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water- dimer	146
	1 Introduction	146
	2 MCTDH: Equations of Motion and Implementation	147
	3 Shared Memory Parallelization of MCTDH	150
	4 Dynamics and Infrared Spectrum of the Zundel Cation	153
	5 Conclusions	159
	References	160
	Green Chemistry from Supercomputers: Car Parrinello Simulations of Emim- chloroaluminate Ionic Liquids	161
	1 Introduction	161
	2 Method	162
	3 Results: Electronic Structure	169
	4 Computational Performance	170
	5 Conclusions	173
	References	173
	DFT Modelling of Oxygen Adsorption on CoCr Surfaces	176
	1 Introduction	176
	2 Computational Technique	177
	3 Results	179
	4 Conclusions and Outlook	187
	References	188
	Comparison of the Incorporation of Watson- Crick Complementary and Mismatched Nucleotides Catalyzed by DNA Polymerase I	190
	1 Introduction	190
	2 Material and Method	192
	3 Results and Discussion	193
	4 Conclusion	199
	References	200
	Reacting Flows	203
	Assumed PDF Modeling of Turbulence Chemistry Interaction in Scramjet Combustors	205
	1 Introduction	205
	2 Governing Equations and Numerical Scheme	206
	3 Lobed Strut Injector-Mixing Enhancement	208
	4 Supersonic Combustion Experiment	211
	5 Performance	213
	6 Conclusion	214
	References	214
	Simulations of Premixed Swirling Flames Using a Hybrid Finite- Volume/ Transported PDF Approach	216
	1 Introduction	216
	2 Numerical Model	218
	CFD PDF	218
	3 Results and Discussion	222
	4 Conclusion	226
	References	226
	Computations of Premixed Turbulent Flames	229
	1 Motivation	229
	2 Numerical Method	232
	3 Issues of HPC	233
	4 Sample Results	234
	5 Conclusions	238
	References	238
	Ignition of Droplets in a Laminar Convective Environment	240
	1 Introduction	240
	2 Numerical model	241
	3 Results and Discussion	244
	4 Conclusions	248
	References	249
	Computational Fluid Dynamics	253
	Laminar-Turbulent Transition in a Laminar Separation Bubble: Influence of Disturbance Amplitude on Bubble Size and Bursting	258
	1 Introduction	258
	2 Physical Model and Numerical Method	259
	3 Reference Configuration: Short Separation Bubble	262
	4 Influence of Disturbance Amplitude on Bubble Size	267
	5 Computational Aspects	268
	6 Summary and Conclusions	269
	References	271
	Direct Numerical Simulation on the Influence of the Nozzle Design for Water Sheets Emerged at Moderate Reynolds Numbers	273
	1 Introduction	273
	2 Numerical Method	274
	3 Numerical Setup	275
	4 Results	278
	5 Computational Performance and Resources	283
	6 Concluding Remarks	286
	References	286
	DNS of Heat Transfer from a Flat Plate affected by Free- Stream Fluctuations	288
	1 Introduction	288
	2 Computational Details	289
	3 Performance of the Code on the XC1	291
	4 Results	292
	5 Conclusion