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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Alloy Development for Energy Technologies: ICME Gap Analysis
Sponsorship TMS Materials Processing and Manufacturing Division
TMS: Integrated Computational Materials Engineering Committee
Organizer(s) Ram Devanathan, Pacific Northwest National Laboratory
Raymundo Arroyave, Texas A & M University
Carelyn E. Campbell, National Institute of Standards and Technology
James Edward Saal, Citrine Informatics
Scope The critical role of integrated computational materials engineering (ICME) in materials selection and rapid development of alloys is widely accepted. However, there remain several gaps in our understanding that impede the effective use of ICME. One such gap is the integration of modeling schemes for alloys at different scales. The paucity of high quality data of known provenance for data-driven physics-informed models is another gap. Open data platforms are also a key research need to advance this field. This symposium will explore the tools, data, models, and open frameworks needed to accelerate alloy development for advanced energy technologies that are key to a decarbonized economy.

Topics of interest include, but are not limited to, the following:
• Connecting atomistic studies to mesoscale models
• Tools for microstructure analysis
• Computational thermodynamics and kinetic models
• Development of processing-microstructure-property relationships
• Development of shared materials data infrastructure
• Data quality and metadata standards
• Physics-informed machine learning for alloy development

Abstracts Due 07/17/2022
Proceedings Plan Planned:

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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