Computational Materials Design

The book is about computational materials desing. The reader can understand the outline of each theory and the effectiveness of computational approach in understandingnot only materials phenomena but also materials design and development. The book is directed to students, materials scientists and engineers who need a clear exposition of modern technologies for materials design.

This book outlines a wide range of materials design technologies from first principle calculations to continuum mechanics with successful applications of them to materials design and development, while in previous publications, each theory has not been written in view of a basic technology for materials design and development. Includes supplementary material: sn.pub/extras

Texte du rabat

Computational Materials Design consists of ten chapters outlining a wide range of materials design technologies from first-principle calculations to continuum mechanics, with successful applications to materials design and development. Each theory is explained from the point of view of a relevant technology. Thus the reader can understand the outline of each theory and the effectiveness of computational approaches in terms of materials phenomena as well as materials design and development.

Contenu
Electronic Structure Theory for Condensed Matter Systems.- Design of Ni-Base Superalloys.- Design of Titanium Alloys, Intermetallic Compounds and Heat Resistant Ferritic Steels.- CALPHAD Approach to Materials Design.- Phase Equilibria and Microstructural Control in Iron-base Alloys.- Computational Approach to the Fusion Reactor Materials.- Modeling of Microstructural Evolution in Alloys.- Finite Element Analysis of the Deformation in Materials Containing Voids.- Numerical Analysis of the Interface Problem in Continuous Fiber Ceramic Composites.