You are previewing Computational Materials Engineering.
O'Reilly logo
Computational Materials Engineering

Book Description

Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials Engineering allows scientists and engineers to create virtual simulations of material behavior and properties, to better understand how a particular material works and performs and then use that knowledge to design improvements for particular material applications. The text displays knowledge of software designers, materials scientists and engineers, and those involved in materials applications like mechanical engineers, civil engineers, electrical engineers, and chemical engineers.

Table of Contents

  1. Cover image
  2. Title page
  3. Table of Contents
  4. Copyright
  5. Dedication
  6. Preface
  7. Chapter 1: Introduction
    1. 1.1 Microstructures Defined
    2. 1.2 Microstructure Evolution
    3. 1.3 Why Simulate Microstructure Evolution?
    4. 1.4 Further Reading
  8. Chapter 2: Thermodynamic Basis of Phase Transformations
    1. 2.1 Reversible and Irreversible Thermodynamics
    2. 2.2 Solution Thermodynamics
  9. Chapter 3: Monte Carlo Potts Model
    1. 3.1 Introduction
    2. 3.2 Two-State Potts Model (Ising Model)
    3. 3.3 Q-State Potts Model
    4. 3.4 Speed-Up Algorithms
    5. 3.5 Applications of the Potts Model
    6. 3.6 Summary
    7. 3.7 Final Remarks
    8. 3.8 Acknowledgments
  10. Chapter 4: Cellular Automata
    1. 4.1 A Definition
    2. 4.2 A One-Dimensional Introduction
    3. 4.3 +2D CA Modeling of Recrystallization
    4. 4.4 +2D CA Modeling of Grain Growth
    5. 4.5 A Mathematical Formulation of Cellular Automata
    6. 4.6 Irregular and Shapeless Cellular Automata
    7. 4.7 Hybrid Cellular Automata Modeling
    8. 4.8 Lattice Gas Cellular Automata
    9. 4.9 Network Cellular Automata—A Development for the Future?
    10. 4.10 Further Reading
  11. Chapter 5: Modeling Solid-State Diffusion
    1. 5.1 Diffusion Mechanisms in Crystalline Solids
    2. 5.2 Microscopic Diffusion
    3. 5.3 Macroscopic Diffusion
    4. 5.4 Numerical Solution of the Diffusion Equation
  12. Chapter 6: Modeling Precipitation as a Sharp-Interface Phase Transformation
    1. 6.1 Statistical Theory of Phase Transformation
    2. 6.2 Solid-State Nucleation
    3. 6.3 Diffusion-Controlled Precipitate Growth
    4. 6.4 Multiparticle Precipitation Kinetics
    5. 6.5 Comparing the Growth Kinetics of Different Models
  13. Chapter 7: Phase-Field Modeling
  14. Chapter 8: Introduction to Discrete Dislocation Statics and Dynamics
    1. 8.1 Basics of Discrete Plasticity Models
    2. 8.2 Linear Elasticity Theory for Plasticity
    3. 8.3 Dislocation Statics
    4. 8.4 Dislocation Dynamics
    5. 8.5 Kinematics of Discrete Dislocation Dynamics
    6. 8.6 Dislocation Reactions and Annihilation
  15. Chapter 9: Finite Elements for Microstructure Evolution
    1. 9.1 Fundamentals of Differential Equations
    2. 9.2 Introduction to the Finite Element Method
    3. 9.3 Finite Element Methods at the Meso- and Macroscale
  16. Index