Integral Materials Modeling: Towards Physics–Based Through–Process Models

Adopting a holistic approach to materials simulation, this monograph covers four very important structural materials: aluminum, carbon steels, superalloys, and plastics. Following an introduction to the concept of integral modeling, the book goes on to cover a wide range of production steps and usage, including melt flow and solidification behavior, coating, rolling, thermal treatment, forming, hardness and ductility, damage initiation, and deformation behavior.

Spis treści:
List of Contributors.
1 Introduction (G. Gottstein).
2 Integral Materials Modeling (G. Gottstein).
Abstract.
2.1 Introduction.
2.2 The Collaborative Research Center on "Integral Materials Modeling."
2.3 Through–Process Modeling.
2.4 Outlook.
References.
3 Aluminum Through–Process Modeling: From Casting to Cup Drawing (TP C6) (L. Neumann, R. Kopp, G. Hirt, E. Jannot, G. Gottstein, B. Hallstedt, J. M. Schneider, B. Pustal, and A. Bu¨hrig–Polaczek).
Abstract.
3.1 Introduction.
3.2 Casting and Solidification.
3.3 Homogenization.
3.4 Hot and Cold Rolling.
3.5 Cup Drawing.
3.6 Conclusions and Outlook.
References.
4 From Casting to Product Properties: Modeling the Process Chain of Steels (TP C7) (U. Prahl, W. Bleck, A.–P. Hollands, D. Senk, X. Li, G. Hirt, R. Kopp, V. Pavlyk, and U. Dilthey).
Abstract.
4.1 Introduction.
4.2 Continuous Casting Simulation.
4.3 Hot Rolling Simulation.
4.4 Simulation of Phase Transformation.
4.5 Simulation of Mechanical Properties.
4.6 Welding Simulation.
4.7 Application.
4.8 Summary.
References.
5 Status of Through–Process Simulation for Coated Gas Turbine Components (TP C8) (R. Herzog, N. Warnken, I. Steinbach, B. Hallstedt, C. Walter, J. Müller, D. Hajas, E. Mu¨nstermann, J.M. Schneider, R. Nickel, D. Parkot, K. Bobzin, E. Lugscheider, P. Bednar z, O. Trunova, and L. Singheiser).
Abstract.
5.1 Introduction.
5.2 Solidification and Heat Treatment of the Nickel–Based Superalloy.
5.3 CVD Processing of an Alumina Interdiffusion Barrier.
5.4 Magnetron Sputter Process of NiCoCrAlY Corrosion–Protective Coating.
5.5 Atmospheric Plasma Spraying of Ceramic TBC.
5.6 Stress Response and Crack Formation at the Bond Coat/TBC Interface During Cyclic Thermal Loading.
5.7 Conclusions.
References.
6 Deformation Behavior of a Plastic Pipe Fitting (TP C9) (W. Michaeli, E. Schmachtenberg, M. Brinkmann, M. Bussmann, and B. Renner).
Abstract.
6.1 Introduction.
6.2 Aims and Procedure.
6.3 Calculation of Local Inner Part Properties Using Extended Process Simulation.
6.4 Integration of Inner Properties into Structural Analysis.
6.5 Conclusions and Perspectives.
References.
7 Modeling of Flow Processes During Solidification (TP A1) (M. Bussmann, B. Renner, W. Michaeli, B. Pustal, A. Bu¨hrig–Polaczek, V. Pavlyk, O. Mokrov, and U. Dilthey).
Abstract.
7.1 Introduction.
7.2 Software Development.
7.3 Experiments and Results.
7.4 Discussion.
7.4.1 Aluminum Cup.
References.
8 Microstructure Modeling During Solidification of Castings (TP A2) (B. Pustal, A. Bu¨hrig–Polaczek, N. Warnken, I. Steinbach, M. Bussmann, B. Renner, W. Michaeli, A.–P. Hollands, D. Senk, C. Walter, B. Hallstedt, and J. M. Schneider).
Abstract.
8.1 Introduction.
8.2 Experiments.
8.3 Models.
8.4 Simulations and Results.
8.5 Summary.
References.
9 Coating of Turbine Blades (TP A3) (B. Hallstedt, J. Mu¨ller, D. Hajas, E. Mu¨nstermann, J.M. Schneider, R. Nickel, D. Parkot, K. Bobzin, and E. Lugscheider).
Abstract.
9.1 Introduction.
9.2 Modeling and Simulation of Al2O3 Chemical Vapor Deposition.
9.3 Modeling and Simulation of the Magnetron Sputter Process.
9. 4 Modeling and Simulation of Atmospheric Plasma Spraying and Thermal Barrier Coating Characterization.
References.
10 Hot and Cold Rolling of Aluminum Sheet (TP B1) (L. Neumann, R. Kopp, G. Hirt, M. Crumbach, C. Scha¨fer, V. Mohles, and G. Gottstein).
Abstract.
10.1 Introduction.
10.2 Hot and Cold Rolling of Aluminum.
10.3 Database "StoRaDat" and Interfaces.
10.4 Conclusions and Outlook.
References.
11 Modeling of the Hot Rolling Process of a C45 Steel (TP B1) (X. Li, R. Kopp, G. Hirt, B. Zeislmair, and W. Bleck).
Abstract.
11.1 Introduction.
11.2 Experimental Procedure.
11.3 Modeling of the Hot Rolling Process.
11.4 Summary.
References.
12 Simulation of Phase Changes During Thermal Treatments of Various Metal Alloys (TP B2) (M. Schneider, E. Jannot, V. Mohles, G. Gottstein, C. Walter, B. Hallstedt, J. M. Schneider, N. Warnken, I. Steinbach, F. Gerdemann, U. Prahl, and W. Bleck).
Abstract.
12.1 Introduction.
12.2 Aluminum Sheet AA3104: Precipitation Kinetics and Solute Distribution During Homogenization.
12.3 Turbine Blades: Ni–Base Superalloys.
12.4 C45 and S460 Steel: Isothermal Phase Transformation and Austenite Conditioning.
References.
13 Deep Drawing Properties of Aluminum Sheet (TP C6) (L. Neumann, R. Kopp, G. Hirt, M. Crumbach, and G. Gottstein).
Abstract.
13.1 Introduction.
13.2 Modeling Setup for Prediction of Texture–Induced Anisotropy.
13.3 Results and Discussion.
13.4 Conclusions and Outlook.
References.
14 Simulation of Stress Response to Cyclic Thermal Loading in Thermal Barrier Composites for Gas Turbines (TP C8) (R. Herzog, P. Bednarz, E. Trunova, and L. Singheiser).
Abstract.
14.1 Introduction.
14.2 Experimental.
14.3 Finite Element Simulation.
14.4 Conclusions.
References.
15 Through–Process Multiscale Models for the Prediction of Recrystalliz ation Textures (D. Raabe).
Abstract.
15.1 Introduction to Recrystallization Models for Process Simulation.
15.2 Models for Predicting Recrystallization Textures with Discretization of Space and Time.
15.3 Statistical Models for Predicting Recrystallization Textures.
15.4 Input to Recrystallization Models for Texture Prediction.
References.
16 Analytic Interatomic Potentials for Atomic–Scale Simulations of Metals and Metal Compounds: A Brief Overview (K. Albe, P. Erhart, and M. Müller).
Abstract.
16.1 Introduction.
16.2 Overview of Established Potential Schemes.
16.3 Analytic Bond–Order Potentials (BOP).
16.4 Concluding Remarks.
References.
17 Selected Problems of Phase–Field Modeling in Materials Science (H. Emmerich and R. Siquieri).
Abstract.
17.1 Introduction to Phase–Field Modeling in Materials Science.
17.2 Overview on Recent Issues in the Further Development of Phase–Field Modeling.
17.3 "Quantitative Phase–Field Simulations" of Nucleation and Growth in Peritectic Material Systems.
17.4 Conclusions and Outlook.
References.
18 Prediction of Microstructure and Microporosity Development in Aluminum Gravity Casting Processes (M. Schneider, W. Schaefer, G. Mazourkevitch, M. Wessén, I.L. Svensson, S. Seifeddine, J. Olsson, C. Beckermann, and K. Carlson).
Abstract.
18.1 Introduction.
18.2 Microstructure Modeling.
18.3 Microporosity Modeling.
18.4 Results and Discussion.
18.5 Conclusions.
References.
19 Enhanced 3D Injection Molding Simulation by Implementing Applied Crystallization Models (M. Thornagel).
Abstract.
19.1 Introduction.
19.2 Current Situation and Motivation.
19.3 Implementation of Crystallization Models Into 3D–SIGMA.
19.4 Crystallization Results: Parameter Study.
19.5 Conclusions.
References.
20 Modeling S hearing of γ′ in Ni–Based Superalloys (C. Shen, J. Li, M.J. Mills, and Y. Wang).
Abstract.
20.1 Introduction.
20.2 Method.
20.3 Results.
20.4 Summary.
References.
21 Minimal Free Energy Density of Annealed Polycrystals (M. E. Glicksman and P. R. Rios).
Abstract.
21.1 Introduction.
21.2 Construction and Properties of ANHs.
21.3 Assessing Network Partitioning: Isoperimetric Quotient and Dimensionless Energy Cost.
21.4 Conclusions.
References.
22 Modeling Dynamic Grain Growth and its Consequences (P. S. Bate).
Abstract.
22.1 Introduction.
22.2 Mechanical Behavior in Superplasticity.
22.3 Dynamic Grain Growth.
22.4 Microstructural Modeling of Dynamic Grain Growth.
22.5 Conclusion.
References.
23 Modeling of Severe Plastic Deformation: Evolution of Microstructure, Texture, and Strength (Y. Estrin).
Abstract.
23.1 Introduction.
23.2 Fundamentals of the Model.
23.3 Application of the Model to the ECAP Process.
23.4 Conclusion.
References.
Subject Index.

Nota biograficzna:
Professor Gottstein is the Head of the Institute of Physical Metallurgy and Metal Physics of the Rhineland–Westphalian Technical University of Aachen, Germany. Having obtained his academic degrees from RWTH, he worked for altogether nine years in the USA, as a Visiting Scientist in the Argonne National Laboratory, Associate Professor and then as a Professor at Michigan State University. In 1989 he took up his present appointment at RWTH.
Professor Gottstein has authored ten textbooks, more than 450 articles and 42 invited papers for international conferences. He has received numerous scientific awards, including the Max Planck Research Award of the Alexander von Humboldt Foundation, the Masing Award of the German Metallurgical Society and the Heyn Medal of the German Materials Society. Since Janua ry 2004 he is an editor of the scientific journal Acta Materialia.

Okładka tylna:
Adopting a holistic approach to materials simulation, this monograph covers four very important structural materials: aluminum, carbon steels, superalloys, and plastics. Following an introduction to the concept of integral modeling, the book goes on to cover a wide range of production steps and usage, including melt flow and solidification behavior, coating, rolling, thermal treatment, forming, hardness and ductility, damage initiation, and deformation behavior.