Computer Simulation in Materials Science

1. Space and Time Scales.- Space and Time Scales during the Development of Microstructures in the Solide State.- Balance and Flow Laws at Different Scales.- Length and Time Scales in Materials Science: Interfacial Pattern Formation.- 2. Simulation Techniques at Different Scales.- Atomistic Simulations.- Cellular Automata and Mesoscale Simulations.- Meso-Macro Modelling using the Finite Element Method.- Parallelism: Overview of an Evolution.- 3. Modelling and Applications: Atomic Scale.- The Microscopic World of Atomic Diffusion: Dynamical Simulations as a Tool to probe the Temporal Evolution of Complex Systems.- Structure and Morphology of Solid Surfaces.- Simulation of Interfaces at the Atomic Scale.- Defect Production in Irradiated Metals: Insight from Computer Simulation.- A Parallel Molecular Dynamics Investigation of Fracture.- Atomistic Modeling of Failure Mechanisms.- 4. Modelling and Applications: Mesoscopic Scale.- Application of Cellular Automata in Materials Science.- A Lattice-Gas Model for a Reaction-Diffusion System.- Dislocation Patterns.- Dislocations and the Meso-Macro Connection.- Meso-Scale Simulation of the Dislocation Dynamics.- Modeling of Dynamical Evolution of Micro/Mesoscopic Morphological Patterns in Coherent Phase Transformations.- Mesoscopic Simulations of Recrystallization.- Simulation of TEM Dislocation Contrasts.- 5. Modelling and Applications: Macroscopic Scale.- Modelling the Brittle to Ductile Transition in Single Crystals.- Trends for Numerical Modellings in Stress Corrosion Cracking and Corrosion Fatigue Damage.- Micro-Macro Modeling.- The Meso-Macro Connection in Polycrystals.- Meso-Macro Connection based on Morphological Analysis: Foundations, Merits and Drawbacks.- The Analysis of Localized Plastic Flow.- Modelling of ManufacturingProcesses: A Material Science Perspective.- List of Participants.- Author Index.