Handbook of Materials Modeling

Methods: Theory and Modeling
2. Auflage 2020
ISBN: 978-3-319-44676-9
Verlag: Springer

Buch, Englisch, 1987 Seiten, Format (B × H): 155 mm x 235 mm, Gewicht: 4272 g

The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community.

Subject Editors: Martin Bazant, ; Bruce Boghosian, Richard Catlow, Long-Qing Chen, William Curtin, Tomas Diaz de la Rubia, Nicolas Hadjiconstantinou, Mark F. Horstemeyer, Efthimios Kaxiras, L. Mahadevan, Dimitrios Maroudas, Nicola Marzari, Horia Metiu, Gregory C. Rutledge, David J. Srolovitz, Bernhardt L. Trout, Dieter Wolf, .

Zielgruppe

Research

Autoren/Hrsg.

Andreoni, Wanda

Yip, Sidney

Fachgebiete

• Technische Wissenschaften Technik Allgemein Modellierung & Simulation
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde

Inhaltsverzeichnis

Introduction Plenary Topics Electronic Structure of Materials by ab initio Methods Atomistic Simulations Long Timescale Atomistic Simulations: Accelerated Molecular Dynamics and Adaptive Kinetic Monte Carlo Modeling Tools for Magnetism, Magnetic Materials and Spintronics Modeling of Microstructure Evolution: Mesoscale Challenges Stochastic, Coarse-grained Models of Materials Mechanics Soft Matter/Polymer Simulations Crystal Plasticity: From the Atomic Scale to the Macroscale Materials Informatics.

Über Autor(innen)

Wanda Andreoni is Emeritus Professor of Physics at the Swiss Federal Institute of Technology of Lausanne (EPFL). She has been involved in Computational Materials Science since the early days of her research activity, in both academic and industrial institutions, covering also teaching, organizational, and research managing positions. She is a Fellow of the American Physical Society. She was Zernike Professor at the Groningen University (NL) (2011) and CECAM Director (2009–2012). Regarding editorial work, she was Coeditor of Europhysics Letters (1990–1993) and Editor of The Chemical Physics of Fullerenes 10 (and 5) Years Later, NATO ASI Series E: Applied Sciences, Vol. 316 (Kluwer, 1996), and of The Physics of Fullerene-Based and Fullerene-Related Materials, Series on the Physics and Chemistry of Materials with Low-Dimensional Structures, Vol. 23 (Kluwer, 2000).

Sidney Yip immigrated to the USA from China in 1950 at age 14. After receiving degrees in Mechanical Engineering and Nuclear Engineering from the University of Michigan and spending two postdoctoral years at Cornell University, he joined the Nuclear Engineering Faculty at MIT in 1965. From early research in theoretical studies of particle and fluid transport, he became broadly involved in atomistic modeling and simulation of materials. He edited the first edition of the Handbook of Materials Modeling as well as Spectroscopy in Biology and Chemistry: Neutron, X-Ray, Laser (1974) and Materials Interfaces: Atomic-Level Structure and Properties (1993). Other books include the monographs, Foundations of Neutron Transport Theory (1967), Neutron Molecular Spectroscopy (1968), and Molecular Hydrodynamics (1980), and a text, Nuclear Radiation Interactions (2014). He received Guggenheim Fellowship, US Senior Scientist Prize of the Alexander von Humboldt Foundation, Distinguished Alumnus Award of the University of Michigan, and the Robert Cahn Award. A Fellow of the American Physical Society, he became Professor Emeritus in 2009.