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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Accelerated Discovery and Insertion of Next Generation Structural Materials
Presentation Title Using Machine Intuitive Learning to Predict Advanced Steel Properties
Author(s) Krista R. Limmer, Andrew Garza, Heather Murdoch, Benjamin Szajewski, Daniel Field, Christopher Rinderspacher, Levi McClenny, Mulugeta Haile
On-Site Speaker (Planned) Krista R. Limmer
Abstract Scope Recent advances in data science and high-throughput materials simulations are being evaluated to accelerate advanced steel alloy development. Here we use machine learning (ML) to take advantage of the large amounts of historic data available for martensitic steels. A series of models and diagrams using varying amounts of data are used to develop predictive ML models. Multiple approaches are used to assess the degree of information required to predict toughness as a function of composition and processing parameters. The first approach directly minimizes the composition and processing variables using Gaussian process regression. The latter approaches incorporate various differing neural networks, such as multilayer perceptron and recurrent neural networks, to predict toughness based on intermediate variables. These intermediate variables are synthetic microstructures and thermodynamic properties generated using high-throughput CALPHAD simulations.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Iron and Steel, Machine Learning

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Design Space for Tunable Ceramic-polymer Composites
A Diffusion Couple Approach to β-Ti Alloy Development: Evaluating the Oxidation Performance of Ti-Fe-X+ Alloys
A High-throughput Setup for Materials Exposure to Simultaneous Irradiation-corrosion Conditions
Accelerated Discovery of Novel Titanium Alloys using High-throughput Manufacturing, Characterization and Testing
Accelerating Multimodal Data Collection: A Workflow for Metallic Films
AI and Machine Learning Tools for Development and Analysis of Image Driven 2D Materials
Combinatorial Mechanical Microscopy via Correlated Nanoindentation and EDX Mapping
Computational Design of an Ultra-strong High-entropy Alloy
Computational Design of High Entropy Alloy Hardmetals
Design of a Compact Morphology Cobalt-based Superalloy for Additive Manufacturing
Efficient Conductivity and Hardness Optimization in Cu-Ag-Ni Alloys using Bayesian Active Learning
High-throughput Electric-Field-assisted Sintering and Characterization Techniques for Materials Discovery
High-throughput Prediction of Fracture and Brittle to Ductile Transition in Tungsten using Variable Temperature Nanoindentation
High-throughput Synthesis and Mechanical Characterization of Sputtered Metallic Alloys
How Should You Select an Algorithm for a Materials Discovery Campaign with Multiple Objectives, Complex and High-dimensional Structure-processing-property Relationships, and a Small Adaptive Design Budget?
Machine Learning-assisted Discovery of Novel High Temperature Ni-rich NiTiHfZr Multi-component Shape Memory Alloys
Rapid Characterisation of Active Slip Systems in Titanium Ordered-bcc Compounds using an Algorithm for Automated Indentation Slip Trace Analysis.
Using Machine Intuitive Learning to Predict Advanced Steel Properties

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