Integrative Computational Materials Engineering -- Contents -- List of Contributors -- Preface -- Part I Concepts -- 1 Introduction -- 1.1 Motivation -- 1.2 What Is ICME? -- 1.2.1 The ''Unaries'': I, C, M, and E -- 1.2.2 The ''Binaries'' ME, IM, IE, IC, CE, and CM -- 1.2.3 The ''Ternary Systems'': CME, ICM, IME, ICE -- 1.2.4 The ''Quaternary'' System: ''ICME'' -- 1.3 Historical Development of ICME -- 1.4 Current Activities Toward ICME -- 1.5 Toward a Modular Standardized Platform for ICME -- 1.6 Scope of This Book -- References -- 2 Basic Concept of the Platform -- 2.1 Overview -- 2.2 Open Architecture -- 2.3 Modularity -- 2.3.1 Individual Modules -- 2.3.2 Bridging the Scales -- 2.3.3 Interface Modules/Services -- 2.3.4 Data Modules -- 2.4 Standardization -- 2.5 Web-Based Platform Operation -- 2.6 Benefits of the Platform Concept -- 2.6.1 Benefits for Software Providers -- 2.6.2 Benefits for Industrial Users -- 2.6.3 Benefits for Academia, Education, and Knowledge Management -- 2.7 Verification Using Test Cases -- 3 State-of-the-Art Models, Software, and Future Improvements -- 3.1 Introduction -- 3.2 Overview of Existing Models and Software -- 3.3 Requirements for Models and Software in an ICME Framework -- 3.3.1 Model Quality -- 3.3.2 Improving Numerical and Model Accuracy -- 3.3.3 Speeding Up Individual Models and Distributed Simulations -- 3.3.4 Information Integrity -- 3.4 Benefits of Platform Operations for Individual Models -- 3.4.1 Improved Quality of Initial Conditions -- 3.4.2 Improved Quality of Materials Data -- 3.4.3 Consideration of Local Effective Materials Properties -- 3.5 Strong and Weak Coupling of Platform Models -- 3.6 Conclusions -- References -- 4 Standardization -- 4.1 Overview -- 4.2 Standardization of Geometry and Result Data -- 4.2.1 Extended File Header -- 4.2.2 Geometric Attributes -- 4.2.3 Field Data.

4.3 Material Data -- 4.4 Application Programming Interface -- 4.4.1 USER_MATERIAL_TM Subroutine -- 4.4.2 USER_MATERIAL_HT Subroutine -- 4.4.3 USER_EXPANSION Subroutine -- 4.4.4 USER_PHASE_CHANGE Subroutine -- 4.5 Future Directions of Standardization -- References -- 5 Prediction of Effective Properties -- 5.1 Introduction -- 5.2 Homogenization of Materials with Periodic Microstructure -- 5.2.1 Static Equilibrium of a Heterogeneous Material -- 5.2.2 Periodicity and Two-Scale Description -- 5.2.3 The Asymptotic Homogenization Method -- 5.3 Homogenization of Materials with Random Microstructure -- 5.3.1 Morphology Analysis and Definition of the RVE -- 5.3.2 Influence of the RVE Position on the Effective Elastic Properties -- 5.3.3 Stochastic Homogenization -- 5.4 Postprocessing of Macroscale Results: the Localization Step -- 5.5 Dedicated Homogenization Model: Two-Level Radial Homogenization of Semicrystalline Thermoplastics -- 5.5.1 Mechanical Properties of the Amorphous and Crystalline Phases -- 5.6 Virtual Material Testing -- 5.7 Tools for the Determination of Effective Properties -- 5.7.1 Homogenization Tool HOMAT and Its Preprocessor Mesh2Homat -- 5.7.2 Program Environment for Virtual Testing -- 5.8 Examples -- 5.8.1 Methods Comparison Based on a Benchmark -- 5.8.2 Austenite-VFerrite Phase Transformation of a Fe-VC-VMn Steel -- 5.8.3 Application of the Stochastic Homogenization: Effective Thermal Conductivity of an Open-Cell Metallic Foam -- 5.9 Conclusions -- References -- 6 Distributed Simulations -- 6.1 Motivation -- 6.2 The AixViPMaP® Simulation Platform Architecture -- 6.3 Data Integration -- 6.4 Web-Based User Interface for the Simulation Platform -- References -- 7 Visualization -- 7.1 Motivation -- 7.2 Standardized Postprocessing -- 7.3 Integrated Visualization -- 7.4 Data History Tracking -- References -- Part II Applications.

8 Test Case Line Pipe -- 8.1 Introduction -- 8.2 Materials -- 8.3 Process -- 8.3.1 Overview of Process Chain -- 8.3.2 Reheating -- 8.3.3 Hot Rolling -- 8.3.4 Cooling and Phase Transformation -- 8.3.5 U- and O-Forming -- 8.3.6 Welding -- 8.4 Experiments -- 8.4.1 Dilatometer Experiments -- 8.4.2 Compression Tests to Determine Flow Curves and DRX Kinetics -- 8.4.3 Tensile Tests -- 8.4.4 Welding Experiments -- 8.5 Experimental Process Chain -- 8.6 Simulation Models and Results -- 8.6.1 Reheating -- 8.6.2 Hot Rolling -- 8.6.3 Cooling and Phase Transformation -- 8.6.4 U- and O-Forming -- 8.6.5 Welding -- 8.7 Conclusion and Benefits -- References -- 9 Test Case Gearing Component -- 9.1 Introduction -- 9.2 Materials -- 9.3 The Process Chain -- 9.3.1 Overview -- 9.3.2 Hot Rolling and Forging -- 9.3.3 FP Annealing -- 9.3.4 Machining -- 9.3.5 Carburizing -- 9.3.6 Laser Welding -- 9.4 Experimental Procedures and Results -- 9.4.1 Overview of Phenomena -- 9.4.2 Characterization of Dynamic Recrystallization and Grain Growth -- 9.4.3 Characterization of Phase Transformations -- 9.4.4 Investigation of the Particle Evolution along the Process Chain -- 9.4.5 Characterization of Welding Depth -- 9.5 Simulation Chain and Results -- 9.5.1 Overview of Simulation Chain -- 9.5.2 Macroscopic Process Simulations -- 9.5.3 Microscopic Simulations -- 9.6 Conclusions -- References -- 10 Test Case: Technical Plastic Parts -- 10.1 Introduction -- 10.2 Material -- 10.2.1 Polypropylene -- 10.3 Process Chain -- 10.4 Modeling of the Phenomena along the Process Chain -- 10.4.1 Crystallization of Semicrystalline Thermoplastics -- 10.4.2 Formation of Molecular Orientations -- 10.4.3 Effective Mechanical Properties of Semicrystalline Thermoplastics -- 10.4.4 Macroscopic Mechanical Materials Behavior -- 10.5 Implementation of the Virtual Process Chain -- 10.5.1 SigmaSoft -- 10.5.2 SphaeroSim.

10.5.3 HOMAT -- 10.5.4 Abaqus FEA -- 10.5.5 Simulation Chain -- 10.6 Experimental Methods -- 10.7 Results -- 10.7.1 Macroscopic Process Simulation -- 10.7.2 Microstructure Simulation -- 10.7.3 Effective Mechanical Properties -- 10.7.4 Macroscopic Part Behavior -- 10.8 Summary and Conclusion -- References -- 11 Textile-Reinforced Piston Rod -- 11.1 Introduction -- 11.2 Experimental Process Chain -- 11.2.1 The Braiding Process -- 11.2.2 The Investment Casting Process -- 11.3 Simulation Chain -- 11.3.1 Overview -- 11.3.2 Simulation of the Braiding Process -- 11.3.3 Simulation of the Braiding Structure -- 11.3.4 Simulation of the Infiltration Process -- 11.3.5 Simulation of the Solidification Microstructure -- 11.3.6 Effective Anisotropic Material Properties -- 11.3.7 Effective Properties of the Component -- 11.4 Conclusion/Benefits -- References -- 12 Test Case Stainless Steel Bearing Housing -- 12.1 Introduction -- 12.2 Materials -- 12.2.1 Overview -- 12.2.2 Thermophysical Properties -- 12.3 Processes -- 12.3.1 Overview of the Process Chain -- 12.3.2 The Casting Process -- 12.3.3 The Heat Treatment Process -- 12.3.4 The Machining Process -- 12.3.5 The Application -- 12.4 Phenomena -- 12.4.1 Overview of Phenomena to Be Modeled -- 12.4.2 Description of the Individual Phenomena -- 12.5 Simulation Chain -- 12.5.1 Simulation Tools -- 12.5.2 Simulation Flowchart -- 12.6 Results -- 12.6.1 Macroscopic Process Simulations -- 12.6.2 Microstructures -- 12.7 Conclusions/Benefits -- References -- 13 Future ICME -- 13.1 Imperative Steps -- 13.2 Lessons Learned -- 13.3 Future Directions -- 13.3.1 Education and Training -- 13.3.2 Internationalization, Professionalization, and Commercialization -- 13.3.3 Platform Development -- 13.4 Closing Remark -- References -- Index.