Proceedings of the 2nd World Congress on Integrated Computational Materials Engineering (ICME), (Book with CD)

Preface xi

Acknowledgements * xiii

Conference Editors/Organizers xv

ICME Success Stories and Applications

Application of Computational Thermodynamics and CALPHAD in Magnesium Alloy Development 3
A. Luo

Modelling Precipitation Kinetics during Aging of Al-Mg-Si Alloys 9
Q. Du, andJ. Friis

Modeling Processing-Property Relationships to Predict Final Aluminum Coil Quality 15
K. Karhausen, G. Laptyeva, andS. Neumann

Residual Stress Modeling in Aluminum Wrought Alloys 25
B. Xiao, Q. Wang, C.-C. Chang, andJ. Rewald

ICME Approach to Corrosion Pit Growth Prediction 31
K. Smith, L. Chen, R. Darling, T. Garosshen, M. Jaworowski, S. Opalka, S. Tulyani, and G. Zqfiris

Steel-Ab Initio: Quantum Mechanics Guided Design of New Fe-Based Materials 37
U. Prahl, W. Bleck, and A. Saeed-Akbari

Microstructure Mediated Design of Material and Product 43
A. Sinha, J. Allen, J. Panchal, and F. Mistree

Virtual Prototyping of Lightweight Designs Made with Cold and Hot Formed Tailored Solutions 49
E. Billur, H. Porzner, and T. Alt an

Process Optimization

Multiscale Model for Non-Metallic Inclusions/Steel Composite System Using Data Science Enabled Structure-Property Linkages 57
A. Gupta, A. Cecen, S. Goyal, A. Singh, andS. Kalidindi

A Multi-Scale, Multi-Physics Optimization Framework for Additively Manufactured Structural Components .63
T. El-Wardany, M. Lynch, W. Gu, A. Hsu, M. Klecka, A. Nardi, and D. Viens

Optimal Process Control through Feature-Based State Tracking Along Process Chains 69
M. Senn, N. Link, and P. Gumbsch

Application of ICME Methods for the Development of Rapid Manufacturing Technologies 75
T. Maiwald-Immer, T. Gohler, A. Fischersworring-Bunk, C. Korner,
F. Osmanlic, and A. Bauereifi

Analytical Modeling and Performance Prediction of Remanufactured Gearbox Components 81
R. Pulikollu, N. Bolander, S. Vijayakar, and M. Spies

Design Optimization of Transmission of Si/Si02 and Ge/Si02 Multilayer Coatings 87
K. Iqbal, J. Sha, and A. Maqsood

The Study on the Induction Heating System: The Establishment of Analytical Model with Experimental Verification and the Phenomenological Study on the Process from Simulation Perspective 91
T. Zhu, F. Li, X. Li, and Y. Rong

Modelling the Process Chain of Cold Rolled Dual Phase Steel for Automotive Application 97
A. Ramazani, and U. Prahl

Geometric Analysis of Casting Components 103
Z Quan, Z. Gao, Q. Wang, Y. Sun, X. Chen, and Y. Wang

A Microstructure-Strength Calculation Model for Predicting Tensile Strength of AlSi7Mg Alloy Castings 109
Y. Shi, Validation of High Strength Cast Al-Zn-Mg-Cu Aluminum for Use in

Manufacturing Process Design 117
M. David, R. Foley, J. Griffin, and C. Monroe

The Simulation as Prediction Tool to Determine the Method of Riser Calculation More Efficient 123
L. Suarez, andN. Coello

Multi-Objective Optimization of Microstructure in Wrought Magnesium Alloys 129
B. Radhakrishnan, S. Gorti, andS. Simunovic

A Computational Framework for Integrated Process Design of High Performance Parts 135
K. Agarwal, and R. Shivpuri

Materials Data for ICME

Consideration of Ecosystem for ICME 143
W.Ren

Cross-Scale, Cross-Domain Model Validation Based on Generalized Hidden Markov Model and Generalized Interval Bayes' Rule 149
Y. Wang, D. McDowell, and A. Tollman

Application of Statistical and Machine Learning Techniques for Correlating Properties to Composition and Manufacturing Processes of Steels 155
P. Deshpande, B. Gautham, A. Cecen, S. Kalidindi, A. Agrawal, and A. Choudhary

Building Blocks for ICME

Towards an Integrative Simulation of Microstructural Response to Case Hardening of Microalloyed Steels 163
P. Fayek, T. Petermann, and U. Prahl

Ductility Prediction for Complex Magnesium Alloy Castings Using Quality Mapping 169
J. Zheng, M. Li, J. Forsmark, J. Zindel, andJ. Allison

Advanced Dilatometry and Calorimetry for the Validation of Materials Mechanical and Transformation Models 177
M. Reich, B. Milkereit, M. Krawutschke, J. Kalich, C. Schick, and O. Kessler

The 3D X-Ray Crystal Microscope: An Unprecedented Tool for ICME 183
G Ice, J. Budai, E. Specht, B. Larson, J. Pang, R. Barabash, J. Tischler, and W. Liu

3D Hybrid Atomistic Modeling of P" in Al-Mg-Si: Putting the Full Coherency of a Needle Shaped Precipitate to the Test 189
F. Ehlers, S. Dumoulin, and R. Holmestad

The Role of the CALPHAD Approach in ICME 195
F. Zhang, W. Cao, S. Chen, C. Zhang, andJ. Zhu

Simulations of Precipitate Microstructure Evolution during Heat Treatment ..201
K. Wu, G. Sterner, Q. Chen, H-J. Jou, J. Jeppsson, J. Bratberg, A. Engstrom, and P. Mason

Development of Gradient Cemented Carbides through ICME Strategy 207
Y. Du, Y. Peng, W. Zhang, W. Chen, P. Zhou, W. Xie, K. Cheng, L. Zhang, G. Wen, andS. Wang

Full-Field Multi-Scale Modelling of Sheet Metal Forming Taking the Evolution of Texture and Plastic Anisotropy into Account 213
P. Van Houtte, J. Gawad, P. Eyckens, A. Van Bael, G. Samaey, andD. Roose

Integrating Quench Modeling into the ICME Workflow 219
A. Banka, J. Franklin, and W. Newsome

Modeling Crack Propagation in Polycrystalline Alloys Using a Variational Multiscale Cohesive Method 225
V. Sundararagahavan, and S. Sun

A Coupled Approach to Weld Pool, Phase and Residual Stress Modelling of Laser Direct Metal Deposition (LDMD) Processes 231
M. Vogel, M. Khan, J. Ibara-Medina, A. Pinkerton, N. N'Dri, and M. Megahed

Prediction of the Uncertainty in the Response of Lightweight Structures Consisting of Solid Foams 237
J. Hohe, andC. Beckmann

Building 3D Microstructure Database Using an Advanced Metallographic Serial Sectioning Technique and Robust 3D Segmentation Tools 243
U. Adiga, M. Gorantla, J. Scott, D. Banks, and Y-S. Choi

A Brief Review of Precipitation Hardening Models for Aluminum Alloys 249
G. Guo, Q. Wang, G. Wang, and Y. Rong

Crystal Plasticity Finite Element Modeling of Single Crystal Niobium Tensile Tests with Weighted Dynamic Hardening Rule 255
A. Mapar, T. Bieler, F. Pourboghrat, and C. Compton

Three Dimensional X-ray Diffraction Contrast Tomography Reconstruction of Polycrystalline Strontium Titanate during Sintering and Electron Backscatter Diffraction Validation 259
M. Syha, W. Rheinheimer, B. Loedermann, A. Graff, A. Trenkle, M. Baeurer, D.Weygand, W. Ludwig, and P. Gumbsch

Towards the Interface Level Understanding of Internally Oxidized Metal-Oxide
Composites: Cu-Al203 265
Y. Jiang, G. Lan, and C. Xu

Dislocation Density Based Crystal Plasticity Finite Element Model of Polycrystals with Grain Boundary Effect 271
Z Leng, A. Alankar, D. Field, N. Allain-Bonasso, and F. Wagner

ICME Challenges and Education

Integrated Realization of Engineered Materials and Products: A Foundational Problem 279
J. Allen, F. Mistree, J. Panchal, B. Gautham, A. Singh, S. Reddy,
N. Kulkarni, and P. Kumar

ICME-A Mere Coupling of Models or a Discipline of Its Own? 285
M. Bambach, G. Schmitz, and U. Prahl

Knowledge Assisted Integrated Design of a Component and Its Manufacturing Process 291
B. Gautham, N. Kulkarni, D. Khan, P. Zagade, S. Reddy, andR. Uppaluri

Author Index 297

Subject Index 301

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