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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Alloy Development for Energy Technologies: ICME Gap Analysis
Presentation Title ExtremeMat: towards Microstructure and Composition Sensitive Models for the Creep Deformation of Engineering Steels
Author(s) Laurent Capolungo, Arul Kumar, Ricardo Lebensohn, Michael Glazoff, Michael Gao, Yuki Yamamoto
On-Site Speaker (Planned) Laurent Capolungo
Abstract Scope Structural steels utilized for power generation applications are subjected to particularly complex loading conditions. A robust knowledge of the evolution of the performance steels during service entails that one can establish firm bridges between microstructure, composition and material performance: such is one of the primary goals of the consortium ExtremeMat. In this presentation, focus will be placed on detailing recent advances made by the consortium in what concerns the development and validation of advanced polycrystalline creep models. Among others, leveraging the elastic viscoplastic Fast Fourier Transform polycrystal mechanical solver, a mechanistic constitutive model sensitive to the dislocation content and arrangement, interstitial and substitutional solutes, and precipitates will be introduced. A detailed analysis of the precipitate formation and evolution processes will be presented and rationalized using density functional theory simulations. By applying the model against experimental data, the role played by solute vs precipitate strengthening processes will be discussed.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, ICME,

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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