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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Alloy Development for Energy Technologies: ICME Gap Analysis
Presentation Title Filling Data Gaps with ICME Tools and Identifying Data Gaps in ICME Tools: A Case Study in Precipitation Kinetics
Author(s) Paul Mason, Taiwu Yu, Carl-Magnus Lancelot, Thomas Barkar
On-Site Speaker (Planned) Paul Mason
Abstract Scope Materials scientists and engineers rely on good data to make decisions. Where these data do not exist experimentally, they turn to models to fill the gaps and the ICME community has had success in developing Process-structure-property-performance models which allow these gaps to be closed. However, such models are often developed with limited datasets around narrow composition spaces or temperatures that limit their use. Physics based models often have parameters which, although based in a physical conceptualization, are inferred or hard to measure directly. For example, CALPHAD models can predict volume fraction, average size of precipitates as well as the sequence of precipitation for different heat treatments and alloy chemistries. However, the interfacial energy is an important parameter for these simulations which is hard to quantify. This presentation will discuss modeling precipitation and yield strength of IN718 as an example of the advantages and challenges of such approaches.
Proceedings Inclusion? Planned:
Keywords ICME, Computational Materials Science & Engineering, Copper / Nickel / Cobalt

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Data Quality Evaluation and Influence on the Predictability of Data-Driven Alloy Design
Design of Creep-resistant Additively Manufactured Stainless Steels for Nuclear Reactors
Electronic NIST/TRC Resource for Thermophysical Property Data of Metal Systems
ExtremeMat: towards Microstructure and Composition Sensitive Models for the Creep Deformation of Engineering Steels
Filling Data Gaps with ICME Tools and Identifying Data Gaps in ICME Tools: A Case Study in Precipitation Kinetics
M-15: Molecular Dynamics Study of Gradient Energy Coefficient and Grain-boundary Migration in Aluminum Foam
Materials-by-Design Utilizing ICME Tools and Crucial Next-generation Needs
Phase-field Modeling of Aluminum Foam Based on Molecular Dynamics Simulations
Phase Field Dislocation Dynamics Modeling of Shearing Modes in Ni2(Cr,Mo,W)-containing HAYNES® 244® Superalloy
Theory-guided Design of High-strength, Ductile Multi-principal-element Alloys with Validation for High-temperature Energy Technologies
Towards FAIR Simulation Workflows: nanoHUB’s Sim2Ls and ResultsDB
Unsupervised Techniques for Outlier Identification in Alloy Datasets
Voxelized Representations of Atomic Systems for Machine Learning Applications
VPSC's New Clothes: Developing a Modern MATLAB API for Automating High-throughput VPSC Experiments

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