Description
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.
Table of Contents
1. Introduction; 2. Fundamentals of atomistic simulation methods; 3. Fundamentals of mesoscale simulation methods; 4. Fundamentals of crystal plasticity finite element method; 5. Fundamentals of computational thermodynamics and the CALPHAD method; 6. Fundamentals of thermophysical properties; 7. Case studies on steel design; 8. Case studies on light alloy design; 9. Case studies on superalloy design; 10. Case studies on cemented carbide design; 11. Case studies on hard coating design; 12. Case studies on energy materials design; 13. Summary and future development of materials design; Appendix A; Appendix B; Appendix C.
