| Preface | 5 |
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| Contents | 9 |
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| Physics | 12 |
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| Chain Conformations and Phase Behavior in Confined Polymer Blends | 14 |
| 1 Introduction | 14 |
| 2 Models and techniques | 15 |
| 3 Results | 16 |
| 4 Conclusion and outlook | 24 |
| References | 25 |
| Thermal Quark Anti- quark Free Energies, Energies and Screening in Hot SU( 3) Gauge Theory | 27 |
| 1 Introduction | 27 |
| 2 Lattice calculation of the free energy of a static quark- ant iquark pair | 28 |
| 3 Numerical results | 31 |
| 4 The renormalized Polyakov loop | 33 |
| 5 Conclusions | 34 |
| References | 35 |
| Simulations of Particle Suspensions at the Institut für Computerphysik | 36 |
| 1 Introduction | 36 |
| 2 Transport Phenomena and Structuring in Shear Flow of Suspensions near Solid Walls | 36 |
| 3 Simulations of pneumatic transport | 40 |
| 4 Conclusions | 46 |
| References | 46 |
| Numerical Modelling of Convection and Dynamo Processes in Fully Convective Stars | 48 |
| 1 Introduction | 48 |
| 2 Equations | 48 |
| 3 Code | 50 |
| 4 Platforms | 50 |
| 5 Results | 50 |
| 6 Conclusion | 54 |
| Large Scale Simulation of a Cooled, Pulsed Jet in Symbiotic Stars | 55 |
| 1 Introduction | 55 |
| 2 The numerical models | 55 |
| 3 Validating the cooling treatment | 58 |
| 4 Jet structure | 59 |
| 5 Jet emission | 63 |
| 6 Discussion | 64 |
| References | 64 |
| Image States on the LiF( 001)-( 1X1) Insulator Surface | 65 |
| 1 Introduction | 65 |
| 2 Computational Approach | 66 |
| 3 Results and Discussion | 67 |
| References | 73 |
| Interaction of Jets with Galactic Winds | 75 |
| 1 Introduction | 75 |
| 2 Details of the interaction of an extragalactic jet with a galactic wind. | 76 |
| 3 Computational aspects | 78 |
| 4 Simulation results | 81 |
| 5 Discussion | 85 |
| References | 86 |
| Solid State Physics | 87 |
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| Numerical Studies of Model Colloids and Nano- Wires | 90 |
| 1 Introduction and general remarks | 90 |
| 2 Elastic constants from microscopic strain fluctuations | 91 |
| 3 Phase transitions of model colloids in external periodic light fields | 95 |
| 4 Electronic and structural properties of nano wires and clusters ( HLRS and SSC) | 97 |
| Acknowledgements | 100 |
| References | 100 |
| Ab Initio Simulation of Clusters: Relativistic Effects in Structure and Bonding of Noble Metal Nanoparticles | 102 |
| 1 Introduction | 102 |
| 2 The Born- Oppenheimer- Spin- Density- Molecular- Dynamics- Method | 103 |
| 3 Experiments | 104 |
| 4 Computational results | 106 |
| 5 Summary | 111 |
| Acknolegdement | 111 |
| References | 111 |
| The Mixed Akali Effect in Ternary Alkali Silicate Melts: Insight from Molecular Dynamics Computer simulations | 113 |
| 1 Introduction | 113 |
| 2 Details of the Simulation | 114 |
| 3 Intermediate Range Order | 115 |
| 4 Channel Diffusion | 117 |
| 5 Summary | 119 |
| Acknowledgments | 119 |
| References | 119 |
| Methylchloride Adsorption on Si(OOl) - Electronic Properties | 121 |
| 1 Introduction | 121 |
| 2 Computational Method | 122 |
| 3 Results and discussion | 124 |
| 4 Summary | 132 |
| References | 133 |
| Dynamics and Criticality of Correlated Electrons and Quantum Gases | 134 |
| 1 Introduction | 134 |
| 2 Local Mott metal- insulator transition for fermions | 135 |
| 3 Dynamics of the one- dimensional nearest- neighbor t- J model | 139 |
| 4 Conclusions | 144 |
| References | 144 |
| Electron- doping Evolution of the Quasiparticle Band of the Cuprates | 146 |
| 1 Introduction | 146 |
| 2 Model | 147 |
| 3 Numerical Technique | 148 |
| 4 Results and Discussion | 149 |
| 5 Conclusion | 154 |
| Acknowledgements | 155 |
| References | 155 |
| Computational Fluid Dynamics | 157 |
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| Investigation of Hypersonic Flat- plate Boundary- layer Transition by Direct Numerical Simulation | 159 |
| 1 Introduction | 159 |
| 2 Numerical procedure | 160 |
| 3 Results | 162 |
| 4 Computational efficiency | 164 |
| 5 Conclusions and outlook | 165 |
