Microstructural Design of Advanced Engineering Materials -- Contents -- Preface -- List of Contributors -- Part I: Materials Modeling and Simulation: Crystal Plasticity, Deformation, and Recrystallization -- 1 Through-Process Modeling of Materials Fabrication: Philosophy, Current State, and Future Directions -- 1.1 Introduction -- 1.2 Microstructure Evolution -- 1.3 Microstructural Processes -- 1.4 Through-Process Modeling -- 1.5 Future Directions -- References -- 2 Application of the Generalized Schmid Law in Multiscale Models: Opportunities and Limitations -- 2.1 Introduction -- 2.2 Crystal Plasticity -- 2.2.1 Generalized Schmid Law -- 2.2.2 Calculation of Slip Rates, Lattice Rotation, and Stress from a Prescribed Deformation -- 2.2.3 Taylor Factor -- 2.3 Polycrystal Plasticity Models for Single-Phase Materials -- 2.3.1 Sachs Model -- 2.3.2 Taylor Theory -- 2.3.3 Relaxed Constraints Taylor Theory -- 2.3.4 Grain Interaction Models -- 2.4 Plastic Anisotropy of Polycrystalline Materials -- 2.5 Experimental Validation -- 2.5.1 Prediction of Rolling Textures -- 2.5.2 Prediction of Cup Drawing Textures -- 2.6 Conclusions -- References -- 3 Crystal Plasticity Modeling -- 3.1 Introduction -- 3.2 Fundamentals -- 3.2.1 Constitutive Models -- 3.2.1.1 Dislocation Slip -- 3.2.1.2 Displacive Transformations -- 3.2.2 Homogenization -- 3.2.3 Boundary Value Solvers -- 3.3 Application Examples -- 3.3.1 Texture and Anisotropy -- 3.3.1.1 Prediction of Texture Evolution -- 3.3.1.2 Prediction of Earing Behavior -- 3.3.1.3 Optimization of Earing Behavior -- 3.3.2 Effective Material Properties -- 3.3.2.1 Direct Transfer of Microstructures -- 3.3.2.2 Representative Volume Elements -- 3.3.2.3 The Virtual Laboratory -- 3.4 Conclusions and Outlook -- References -- 4 Modeling of Severe Plastic Deformation: Time-Proven Recipes and New Results -- 4.1 Introduction.

4.2 One-Internal Variable Models -- 4.3 Two-Internal Variable Models -- 4.4 Three-Internal Variable Models -- 4.5 Numerical Simulations of SPD Processes -- 4.6 Concluding Remarks -- References -- 5 Plastic Anisotropy in Magnesium Alloys - Phenomena and Modeling -- 5.1 Deformation Modes and Textures -- 5.2 Anisotropy of Stress and Strain -- 5.3 Modeling Anisotropic Stress and Strain -- 5.4 Concluding Remarks -- References -- 6 Application of Stochastic Geometry to Nucleation and Growth Transformations -- 6.1 Introduction -- 6.2 Mathematical Background and Basic Notation -- 6.2.1 Modeling Birth-and-Growth Processes -- 6.2.2 Mean Densities Associated to a Birth-and-Growth Process -- 6.2.3 Causal Cone -- 6.3 Revisiting JMAK -- 6.4 Nucleation in Clusters -- 6.4.1 The Matérn Cluster Process -- 6.4.2 Evaluation of the Integral in Eq. (6.17) -- 6.4.3 Numerical Examples -- 6.4.3.1 Influence of Cluster Radius -- 6.4.3.2 Influence of Number of Nuclei per Cluster -- 6.5 Nucleation on Lower Dimensional Surfaces -- 6.5.1 Derivation of General Expressions for Surface and Bulk Nucleation -- 6.5.1.1 Surface Nucleation -- 6.5.1.2 Bulk Nucleation -- 6.5.2 Numerical Examples -- 6.5.2.1 Surface Nucleation -- 6.5.2.2 Bulk Nucleation -- 6.5.2.3 Simultaneous Bulk and Surface Nucleation -- 6.6 Analytical Expressions for Transformations Nucleated on Random Planes -- 6.6.1 General Results for Nucleation on Random Planes -- 6.6.2 Behavior at the Origin as a Model for the Behavior in an "Unbounded "Specimen -- 6.6.3 Nucleation on Random Parallel Planes Located Within a Specimen of Finite Thickness -- 6.6.4 Nucleation on Random Parallel Planes Located Within an "Unbounded Specimens" -- 6.6.5 Computer Simulation Results -- 6.7 Random Velocity -- 6.7.1 Time-Dependent, Random Velocity -- 6.7.2 Particular Cases -- 6.7.3 Computer Simulation.

6.8 Simultaneous and Sequential Transformations -- 6.8.1 Simultaneous Transformations -- 6.8.2 Sequential Transformations -- 6.8.3 Application to Recrystallization of an IF Steel -- 6.9 Final Remarks -- References -- 7 Implementation of Anisotropic Grain Boundary Properties in Mesoscopic Simulations -- 7.1 Introduction -- 7.2 Overview of Simulation Methods -- 7.3 Anisotropy of Grain Boundaries -- 7.3.1 Energy -- 7.3.2 Mobility -- 7.4 Simulation Approaches -- 7.4.1 Potts Model -- 7.4.2 Cellular Automata -- 7.4.3 Phase Field -- 7.4.4 Cusps in Grain Boundary Energy -- 7.4.5 Level Set -- 7.4.6 Vertex -- 7.4.7 Moving Finite Element -- 7.4.8 Particle Pinning of Boundaries -- 7.5 Summary -- References -- Part II: Interfacial Phenomena and their Role in Microstructure Control -- 8 Grain Boundary Junctions: Their Effect on Interfacial Phenomena -- 8.1 Introduction -- 8.2 Experimental Measurement of Grain Boundary Triple Line Energy -- 8.3 Impact of Triple Line Tension on the Thermodynamics and Kinetics in Solids -- 8.3.1 Grain Boundary Triple Line Contribution to the Driving Force for Grain Growth -- 8.3.2 Effect of the Triple Junction Line Tension on the Zener Force -- 8.3.3 Effect of Triple Junction Line Tension on the Gibbs-Thompson Relation -- 8.4 Why do Crystalline Nanoparticles Agglomerate with Low Misorientations? -- 8.5 Concluding Remarks -- References -- 9 Plastic Deformation by Grain Boundary Motion: Experiments and Simulations -- 9.1 Introduction -- 9.2 What is the Coupled Grain Boundary Motion? -- 9.3 Computer Simulation Methodology -- 9.4 Experimental Methodology -- 9.5 Multiplicity of Coupling Factors -- 9.6 Dynamics of Coupled GB Motion -- 9.7 Coupled Motion of Asymmetrical Grain Boundaries -- 9.8 Coupled Grain Boundary Motion and Grain Rotation -- 9.9 Concluding Remarks -- References.

10 Grain Boundary Migration Induced by a Magnetic Field: Fundamentals and Implications for Microstructure Evolution -- 10.1 Introduction -- 10.2 Driving Forces for Grain Boundary Migration -- 10.3 Magnetically Driven Grain Boundary Motion in Bicrystals -- 10.3.1 Specimens and Applied Methods to Measure Grain Boundary Migration -- 10.3.2 Measurements of Absolute Grain Boundary Mobility -- 10.3.3 Misorientation Dependence of Grain Boundary Mobility -- 10.3.4 Effect of Boundary Plane Inclination on Tilt Boundary Mobility -- 10.4 Selective Grain Growth in Locally Deformed Zn Single Crystals under a Magnetic Driving Force -- 10.5 Impact of a Magnetic Driving Force on Texture and Grain Structure Development in Magnetically Anisotropic Polycrystals -- 10.5.1 Texture Evolution during Grain Growth -- 10.5.2 Microstructure Evolution and Growth Kinetics -- 10.6 Magnetic Field Influence on Texture and Microstructure Evolution in Polycrystals Due to Enhanced Grain Boundary Motion -- 10.7 Concluding Remarks -- References -- 11 Interface Segregation in Advanced Steels Studied at theAtomic Scale -- 11.1 Motivation for Analyzing Grain and Phase Boundaries in High-Strength Steels -- 11.2 Theory of Equilibrium Grain Boundary Segregation -- 11.2.1 Gibbs Adsorption Isotherm Applied to Grain Boundaries -- 11.2.2 Langmuir-McLean Isotherm Equations for Grain Boundary Segregation -- 11.2.3 Phase-Field Modeling of Grain Boundary Segregation and Phase Transformation at Grain Boundaries -- 11.2.4 Interface Complexions at Grain Boundaries -- 11.3 Atom Probe Tomography and Correlated Electron Microscopy on Interfaces in Steels -- 11.4 Atomic-Scale Experimental Observation of Grain Boundary Segregation in the Ferrite Phase of Pearlitic Steel -- 11.5 Phase Transformation and Nucleation on Chemically Decorated Grain Boundaries.

11.5.1 Introduction to Phase Transformation at Grain Boundaries -- 11.5.2 Grain Boundary Segregation and Associated Local Phase Transformation in Martensitic Fe-C Steels -- 11.6 Conclusions and Outlook -- References -- 12 Interface Structure-Dependent Grain Growth Behavior in Polycrystals -- 12.1 Introduction -- 12.2 Fundamentals: Equilibrium Shape of the Interface -- 12.2.1 Equilibrium Crystal Shape -- 12.2.2 Equilibrium Boundary Shape -- 12.3 Grain Growth in Solid-Liquid Two-Phase Systems -- 12.3.1 Growth Mechanisms and Kinetics of a Single Crystal in a Liquid -- 12.3.1.1 Diffusion-Controlled Crystal Growth -- 12.3.1.2 Interface Reaction-Controlled Crystal Growth -- 12.3.1.3 Mixed Controlled Growth of a Faceted Crystal -- 12.3.2 Grain Growth Behavior -- 12.3.2.1 Stationary Grain Growth in Systems with Spherical Grains -- 12.3.2.2 Nonstationary Grain Growth in Systems with Faceted Grains -- 12.4 Grain Growth in Solid-State Single-Phase Systems -- 12.4.1 Migration Mechanisms and Kinetics of the Grain Boundary -- 12.4.2 Grain Growth Behavior -- 12.5 Concluding Remarks -- References -- 13 Capillary-Mediated Interface Energy Fields: Deterministic Dendritic Branching -- 13.1 Introduction -- 13.2 Capillary Energy Fields -- 13.2.1 Background -- 13.2.2 Melting Experiments -- 13.2.3 Self-Similar Melting -- 13.2.4 Influence of Capillarity on Melting -- 13.3 Capillarity-Mediated Branching -- 13.3.1 Local Equilibrium -- 13.3.2 Gibbs-Thomson-Herring Interface Potential -- 13.3.3 Tangential Gradients and Fluxes -- 13.3.4 Capillary-Mediated Energy -- 13.4 Branching -- 13.4.1 Stefan Balance -- 13.4.2 Zeros of the Surface Laplacian -- 13.5 Dynamic Solver Results -- 13.6 Conclusions -- References -- Part III: Advanced Experimental Approaches for Microstructure Characterization -- 14 High Angular Resolution EBSD and Its Materials Applications.

14.1 Introduction: Some History of HR-EBSD.