Multiscale Paradigms in Integrated Computational Materials Science and Engineering

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.

Represents a most comprehensive book on integrated computational materials science and engineering (ICMSE) Provides multiscale approaches to bridge models at different scales Written by world renowned experts and pioneers in the field Contains a unique combination of complementary cutting-edge topics presented in a pedagogical way with practical examples Includes supplementary material: sn.pub/extras

Contenu
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.