Computer Simulation in Materials Science: Nano / Meso / Macroscopic Space & Time Scales

ISBN-13: 9780792339021 / Angielski / Twarda / 1996 / 604 str.

Helmut O. Kirchner; Ladislas P. Kubin; Vassilis Pontikis

Opis

For decades to come, the limits to computing power will not allow atomistic simulations of macroscopic specimens. Simulations can only be performed on various scales (nano, meso, micro and macro) using the input provided by simulations (or data) on the next smaller scale. The resulting hierarchy has been the focus of many seminars and lectures. Necessarily, special emphasis has been placed on mesoscopic simulations, bridging the gaps between nano (atomic) and micro space and time scales."

Spis treści

1. Space and Time Scales. Space and Time Scales During the Development of Micro-Structures in the Solid State; Y. Bréchet, L.P. Kubin. Balance and Flow Laws at Different Scales; S.B. Goryachev. Length and Time Scales in Materials Science: Interfacial Pattern Formation; H. Müller-Krumbhaar. 2. Simulation Techniques at Different Scales. Atomistic Simulations; O.B.M. Hardouin Duparc. Cellular Automata and Mesoscale Simulations; M. Mareschal, A. Lemarchand. Meso-Macro Modelling Using the Finite Element Method; S. Kruch. Parallelism: Overview of an Evolution; L. Brochard, et al. 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; C. Massobrio. Structure and Morphology of Solid Surfaces; B. Salanon, et al. Simulation of Interfaces at the Atomic Scale; A.P. Sutton. Defect Production in Irradiated Metals: Insight from Computer Simulation; D.J. Bacon. A Parallel Molecular Dynamics Investigation of Fracture; F.F. Abraham. Atomistic Modelling of Failure Mechanisms; P. Gumbsch. 4. Modelling and Applications: Mesoscopic Scale. Application of Cellular Automata in Materials Science; J. Lépinoux. A Lattice-Gas Model for a Reaction-Diffusion System; A. Lemarchand, M. Mareschal. Dislocation Patterns; L.P. Kubin. Dislocations and the Meso-Macro Connection; J. Kratochvil. Meso-Scale Simulation of the Dislocation Dynamics; B. Devincre. Modeling of Dynamical Evolution of Micro/Mesoscopic Morphological Patterns in Coherent Phase Transformations; Y. Wang, et al. Mesoscopic Simulations of Recrystallization; E.A. Holm, et al.Simulation of TEM Dislocation Contrasts; J. Douin. 5. Modelling and Applications: Macroscopic Scale. Modelling the Brittle to Ductile Transition in Single Crystals; S.G. Roberts. Trends for Numerical Modellings in Stress Corrosion Cracking and Corrosion Fatigue Damage; T. Magnin. Micro-Macro Modeling; G. Canova, R. Lebensohn. The Meso-Macro Connection in Polycrystals; C. Teodosiu. Meso-Macro Connection Based on Morphological Analysis: Foundations; Merits and Drawbacks; A. Zaoui. The Analysis of Localized Plastic Flow; A. Needleman. Modeling of Manufacturing Processes: A Materials Science Perspective; M. Marchese. List of Participants. Author Index. Subject Index.