Computational Design of Engineering Materials

Yong Du is a full professor at Central South University (CSU), China, and is the Chinese Director for two Sino-German cooperation groups 'Microstructure in AI alloys' and 'Integrated Computational Materials Engineering of Electrochemical Storage Systems' as well as Vice Director of State Key Laboratory of Powder Metallurgy at CSU. Currently he is an associate editor of CALPHAD, associate editor of J. Phase Equilibria and Diffusion, and serves on the Advisory Board of International Journal of Materials Research (formerly Z. Metallkd.). Rainer Schmid-Fetzer is Professor Emeritus at Clausthal University of Technology, Germany. He is Fellow of ASM International and awardee of both the Hume-Rothery Prize, IOM3, UK, and William Hume-Rothery Award, TMS, USA. He is an associate editor of J. Phase Equilibria and Diffusion, and serves on the Advisory Board of International Journal of Materials Research. Jincheng Wang is a professor at State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, China. Shuhong Liu is a professor at CSU. She is a recipient of the best paper prize of the Alloy Phase Diagram International Commission. Jianchuan Wang is an Associate Professor at CSU. He received a Scholarship Award for Excellent Doctoral Student from the Ministry of Education of China. Zhanpeng Jin was an Academician of Chinese Academy of Sciences. He was the Associate Editor of CALPHAD, Advisory Board member of Journal of Phase Equilibria and Diffusion, and a member of Asia Pacific Materials Assembly.

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.