Multiscale kinetic modelling of materials : proceedings of the symposium "Multiscale Kinetic Modelling of Materials", organised within the EMRS Fall Meeting 2006 held in Warsaw, Poland, 4-8 September 2006 / / edited by R. Kozubski, G.E. Murch and P. Zięba

• Record Nr.: UNINA9910808853603321
• Pubbl/distr/stampa: Stafa-Zuerich : , : Trans Tech Publications, , [2007]; ©2007
• ISBN: 3-03813-142-3
• Descrizione fisica: 1 online resource (171 p.)
• Collana: Diffusion and defect data. Pt. B. Solid state phenomena, , 1012-0394 ; ; volume 129
• Altri autori (Persone): KozubskiRafał <1955->; MurchG. E; ZiębaPaweł
• Disciplina: 620.11
• Soggetti: Kinetic theory of matter; Materials - Analysis; Mathematical models
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Conference proceedings.
• Nota di bibliografia: Includes bibliographical references and indexes.
• Nota di contenuto: MULTISCALE KINETIC MODELLING OF MATERIALS; Participants; Committees; Preface; Table of Contents; Bridging Different Length and Time Scales in Diffusion Problems Using a Lattice Monte Carlo Method ; Electro-Mechano-Chemistry; Transport Problem in Four Time Scales ; Concurrent Multiscale Kinetic Monte Carlo-Continuum Models for the Evolution of Solids via Diffusion ; Comparison of the Strain Distribution Obtained from Multi Scale and Conventional Approaches to Modelling Extrusion ; Energetic Landscapes and Diffusion Properties in FeCu Alloys; Multi-Lattice Kinetic Monte Carlo Simulation of Interface Controlled Solid-State Transformations Cluster Dynamics Modeling of Materials: Advantages and Limitations; Interdiffusion of Two L10Phases without Long-Range Order Decrease: Experiments and Molecular Dynamics Simulations; Orientation of Interstitials in Clusters in α-Fe: A Comparison between Empirical Potentials ; Anisotropy of the Vacancy ; Migration in Ti, Zr and Hf Hexagonal Close-Packed Metals from First Principles ; Monte Carlo Simulation of Texture and Microstructure Transformation during Annealing of Steel; A Phase Field Model for grain Growth and Thermal Grooving in Thin Films with Orientation Dependent Surface Energy An Extensive Study of Charge Effects in Silicon Doped Heterofullerenes ; Interface Shape Change and Shift Kinetics on the Nanoscale; Analysis of Oxygen Segregation at Metal-Oxide Interfaces Using a New Lattice Monte Carlo Method ; Materials Hardness Estimation by Simulation of the Indentation Process ; Stability of Hollow Nanospheres: A Molecular Dynamics Study ; First Principles Study of Al(100) Twisted Interfaces; Interface Dynamics of Melt Instabilities on Semiconductor Surface Grain Boundary Migration in Nanocrystalline Iron ; Mutiscale Plastic Deformation near a Fatigue Crack from Diffraction ; Statistical Model of Grain Growth in Polycrystalline Nanomaterials ; Keywords Index; Authors Index
• Sommario/riassunto: The inspiration for this book was to gather together the efforts of those physicists, materials scientists/engineers and other scientists who are carrying out interdisciplinary research into multiscale modelling of time-evolving phenomena in materials. The resultant collection focuses on the principal topics of: 1. The current development of theoretical and model approaches to structural kinetics (links between quantum electron theories of solids and non-equilibrium thermodynamics); 2. Computer simulations as an effective tool for studying atomistic mechanisms of structural kinetics (Monte Car