Book contents
- Computational Design of Engineering Materials
- Computational Design of Engineering Materials
- Copyright page
- Dedication
- Contents
- Foreword
- Preface
- Acknowledgments
- 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
- Book part
- Index
- Plate Section (PDF Only)
- References
1 - Introduction
Published online by Cambridge University Press: 29 June 2023
Book contents
- Computational Design of Engineering Materials
- Computational Design of Engineering Materials
- Copyright page
- Dedication
- Contents
- Foreword
- Preface
- Acknowledgments
- 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
- Book part
- Index
- Plate Section (PDF Only)
- References
Summary
The advance of human civilization with materials development from the Stone Age to the Information Age is the starting point of Chapter 1, highlighting significant roles of computational design of materials. Important terms (model, simulation, database, and materials design) used in computational materials science are defined. The past and present development of computational design of materials is then introduced. A few milestones for alloy design, such as the Hume–Rothery rule, the Phase Computation (PHACOMP) method, and the calculation of phase diagrams (CALPHAD) approach, are highlighted. The past two-decade focus on three aspects in computational design of materials (multiscale/multilevel modeling methodologies, simulation software, and scientific database) in the core of the Materials Genome Initiative is emphasized. A general framework of materials design is demonstrated with two flowcharts: through-process simulation of Al alloys during heat treatment, and the three stages for the development of engineering materials. The two-part structure of the book – fundamentals and case studies – is explained.
Keywords
Information
- Type
- Chapter
- Information
- Computational Design of Engineering MaterialsFundamentals and Case Studies, pp. 1 - 11Publisher: Cambridge University PressPrint publication year: 2023
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