Proceedings of the 3rd World Congress on Integrated Computational Materials Engineering (ICME 2015) : sponsored by TMS (The Minerals, Metals & Materials Society) held May 31-June 4, 2015, Cheyenne Mountain Resort, Colorado Springs, Colorado, USA

This book presents a collection of papers presented at the 3rd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS). This meeting convened ICME stakeholders to examine topics relevant to the global advancement of ICME as an engineering discipline. The papers presented in these proceedings are divided into six sections : (1) ICME Applications; (2) ICME Building Blocks; (3) ICME Success Stories and Applications (4) Integration of ICME Building Blocks : Multi-scale Modeling; (5) Modeling, Data and Infrastructure Tools, and (6) Process Optimization. . These papers are intended to further the global implementation of ICME, broaden the variety of applications to which ICME is applied, and ultimately help industry design and produce new materials more efficiently and effectively Front Matter....Pages i-xviii Front Matter....Pages 1-1 Importance of Controlling Microstructure Heterogeneity when Designing Steel....Pages 3-9 ICME for Process Scale-Up: Importance of Vertical and Horizontal Integration of Models....Pages 11-21 Finite Element Model for Plymouth Tube Processing Using Internal State Variables....Pages 23-30 ICME Towards Improved Understanding of Bainite in 100Cr6....Pages 31-38 Steel — Ab Initio: Quantum Mechanics Guided Design of New Fe-Based Materials....Pages 39-46 Experiments and Modeling of Three-Dimensional Dendritic Morphology of Magnesium Alloy....Pages 47-54 Phase Field Simulation of Orowan Strengthening by Coherent Precipitate Plates in a Mg-Nd Alloy....Pages 55-61 Application of Multi-Scale Fatigue Models in Lightweight Metal Castings....Pages 63-71 Experimental Verification for Solid Fraction Measurement in Semi-Solid Silver Metal Processing in Comparison with Theoretical Thermodynamics Model....Pages 73-80 Experimental and Numerical Determination of the Fracture Energy of Pan/Phenolic-Based Carbon/Carbon Composites....Pages 81-88 Front Matter....Pages 89-96 From Integrated Computational Materials Engineering to Integrated Computational Structural Engineering....Pages 97-97 Predictive Simulation of Diffusion in Ni-Based Alloys Using Pair Interaction Based Kinetic Monte Carlo Method....Pages 99-106 Yield Strength Model for Undercooled Aluminium Alloys Based on Calorimetric In-Situ Quenching Experiments....Pages 107-114 Load Partitioning Mechanisms in Stainless Steel 440C by Crystal Plasticity Based Micromechanical Modeling Approach....Pages 115-122 A Molecular Dynamics Simulation Mechanism with Imprecise Interatomic Potentials....Pages 123-129 A Curve Swarm Algorithm for Global Search of State Transition Paths....Pages 131-138 Modelling the Microstructure of Polycrystalline Austenite-Martensite Steels....Pages 139-146 An Interface to Quantum ESPRESSO....Pages 147-154 Front Matter....Pages 155-162 Microstructure Modeling in ICME Settings....Pages 163-163 Front Matter....Pages 165-172 Development of an ICME Approach for Aluminum Alloy Corrosion....Pages 163-163 ICME Support for Jumbo Vertical Bloom Continuous Caster....Pages 173-180 ICME Applications in Optimizing Welding and Thermal-Forming Processes....Pages 181-187 Design of Co-Free Cemented Carbides....Pages 189-196 Front Matter....Pages 197-204 Modeling and Simulation of Directional Solidification of Ni-Based Superalloy Turbine Blades Casting by Liquid Metal Cooling....Pages 205-205 From Melt Pool to Strength — Application of ICME Methods for the Development of Rapid Manufacturing Technologies....Pages 207-214 Calibrated Localization Relationships for Polycrystalline Aggregates by Using Materials Knowledge System....Pages 215-220 Computational Modeling and Experimental Characterization of Martensitic Transformations in NiCoAl for Self-Sensing Materials....Pages 221-228 Mesoscale Modeling of 3-d Voids Evolution in Large Ingot during Multi-Hit Deformation....Pages 229-236 Front Matter....Pages 237-244 Data Infrastructure Developed for PW-8: Nickel Base Superalloy Residual Stress Foundational Engineering Problem....Pages 245-245 Application of Machine Learning Techniques for Inverse Prediction in Manufacturing Process Chains....Pages 247-259 nanoHUB as a Platform for Implementing ICME Simulations in Research and Education....Pages 261-268 A Review of Materials Data Infrastructure Projects....Pages 269-276 An Integrated Collaborative Environment for Materials Research....Pages 277-284 Analysis of Published Cast Iron Experimental Data....Pages 285-292 Front Matter....Pages 293-303 A General Simulation Technology for Forging with Considering the Evolution of Voids, Grains and Cracks....Pages 305-305 A Method for Determining the Set Points of the Ladle, Tundish and Caster for Manufacturing a High Strength Steel Slab....Pages 307-314 ICME for the Integrated Design of an Automotive Gear Considering Uncertainty....Pages 315-322 An Integrated Surrogate Modeling Approach for Materials and Process Design....Pages 323-330 Uncertainty Management in the Integrated Realization of Materials and Components....Pages 331-338 Front Matter....Pages 339-346 Exploring the Performance-Property-Structure Solution Space in Friction Stir Welding....Pages 305-305 Force Modelling for Temperature Field Determination during High Speed End-Milling of Super Alloys....Pages 347-354 Back Matter....Pages 355-365 ....Pages 367-373 Annotation This book represents a collection of papers presented at the 3rd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals (2) ICME Building Blocks; (3) ICME Success Stories and Applications (4) Integration of ICME Building Blocks: Multi-scale Modeling; (5) Modeling, Data and Infrastructure Tools, and (6) Process Optimization. The papers represent a cross section of the presentations and discussions from the conference. These papers are intended to further the global implementation of ICME, broaden the variety of applications to which ICME is applied, and ultimately help industry design and produce new materials more efficiently and effectively This book represents a collection of papers presented at the 3rd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS), and held in Colorado Springs, Colorado, May 31 - June 4, 2015. This meeting convened ICME stakeholders to examine topics relevant to the global advancement of ICME as an engineering discipline. The 42 papers presented in these proceedings are divided into six sections: (1) ICME Applications; (2) ICME Building Blocks; (3) ICME Success Stories and Applications (4) Integration of ICME Bluilding Blocks : Multi-Scale modeling