Computational Design of Engineering Materials

Presenting the fundamentals, key multiscale methods, and case studies for computational design of engineering materials.

Introducing the key computational methods utilised at different levels in a multi-scale approach, accompanied by real-world case studies, this book is an ideal introductory text for students in materials science and engineering, and a valuable reference for computational materials design.Introducing state-of-the art computational methods, this book combines detailed explanations with real-world case studies to give a full grounding in the design of engineering materials. This book presents a wide spectrum of key computational methods, such as CALPHAD-method, first-principles calculations, phase-field simulation and finite element analysis, covering the atomic-meso-macro scale range. The reader will see these methods applied to case studies for steel, light alloys, superalloys, cemented carbides, hard coating and energy materials, demonstrating in detail how real-world materials are designed. Online ancillary material includes input files for computational design software, providing the reader with hands-on design experience. Step-by-step instructions will allow you to perform and repeat the simulations discussed in the book. Aimed at both graduate and undergraduate students as well as non-specialist researchers in materials science and engineering, including ceramics, metallurgy, and chemistry, this is an ideal introductory and reference book.