Multiscale Paradigms in Integrated Computational Materials Science and Engineering

Materials Theory, Modeling, and Simulation for Predictive Design
Softcover Nachdruck of the original 1. Auflage 2016
ISBN: 978-3-319-34354-9
Verlag: Springer International Publishing

Buch, Englisch, Band 226, 300 Seiten, Previously published in hardcover, Format (B × H): 155 mm x 235 mm, Gewicht: 4745 g

Reihe: Springer Series in Materials Science

This book presents cutting-edge concepts, paradigms, and research highlights in the field of computational materials science and engineering, and provides a fresh, up-to-date perspective on solving present and future materials challenges. The chapters are written by not only pioneers in the fields of computational materials chemistry and materials science, but also experts in multi-scale modeling and simulation as applied to materials engineering. Pedagogical introductions to the different topics and continuity between the chapters are provided to ensure the appeal to a broad audience and to address the applicability of integrated computational materials science and engineering for solving real-world problems.

Zielgruppe

Research

Autoren/Hrsg.

Deymier, Pierre

Muralidharan, Krishna

Runge, Keith

Fachgebiete

• Naturwissenschaften Physik Quantenphysik Atom- und Molekülphysik
• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie

Inhaltsverzeichnis

Orbital-free Density Functional Theory (OFDFT).- Path Integral Molecular Dynamics (PIMD).- Interatomic Potentials Including Chemistry.- Consistent Embedding.- Nano- and Meso-Scale Materials Phenomena.- Phase Field Methods.- Multiscale Spatial and Temporal Data Fusion and Fission in Materials.- Multiscaling and Materials Imaging.- Peridynamics.- Conclusions and Industrial Perspectives.