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
3 - Fundamentals of Mesoscale Simulation Methods
Published online by Cambridge University Press: 29 June 2023
- 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
In Chapter 3, we mainly focus on the fundamentals of typical mesoscale simulation methods, which can provide a bridge between atomistic structures and macroscopic properties of materials. Among many mesoscale simulation methods, the phase-field and cellular automaton methods are extremely popular and powerful for simulating microstructure evolution. Consequently, we first give a detailed introduction on the fundamentals of the two methods, briefly describing some other mesoscale simulation methods, such as level set and front tracking. After that, application examples using individual mesoscale simulation methods and integrations of the phase-field method with other simulation methods such as atomistic simulation, crystal plasticity, CALPHAD, and machine learning are described in detail. Finally, a case study for design of high-energy-density polymer nanocomposites using the phase-field method is very briefly presented.
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- Computational Design of Engineering MaterialsFundamentals and Case Studies, pp. 46 - 94Publisher: Cambridge University PressPrint publication year: 2023