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Meeting MS&T24: Materials Science & Technology
Symposium Understanding High Entropy Materials via Data Science and Computational Approaches
Presentation Title Machine Learning Design of Additively Manufacturable Tungsten-Based Refractory Multi Principle Element Alloys with Enhanced Strength at Extreme Temperatures
Author(s) Zhiyang An, Bo Ni, Benjamin Glaser, Amaranth Karra, Bryan Webler, S. Mohadeseh Taheri-Mousavi
On-Site Speaker (Planned) Zhiyang An
Abstract Scope Designing additively manufacturable tungsten-based refractory multi principle element alloys (R-MPEA) with high strength at temperatures beyond 2000°C is extremely challenging. These alloys will be used in our next-generation structural components in reactors or jet engines. Here, we explore the high-dimensional compositional and processing space using hybrid machine learning (ML)/CALPHAD-based ICME techniques. We combine our simulations with experimental data and train various ML models to guide the design and validate in experiments. We show that while linear models provide first-order valuable insights, they have limitations in capturing nonlinear interactions. We will discuss how much our nonlinear models can improve the predictions of strength at room temperature and 2000°C. We will compare the experimental results with our predictions and discuss how the models can be modified for the next round of enhanced iterations. Our design framework and concepts can be used to discover the high strengths of various HEAs at extreme temperatures.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A First Principles High Throughput Screening Method for Corrosion Resistant High Entropy Materials
Analyzing, Understanding, and Guided Design of Solid Disordering by the Density of Atomistic States (DOAS)
Characterization of Thermal Sprayed Ultrahard Coatings for Stamping Die Surfaces from Refractory High Entropy Alloys Designed Using DFT Calculations
Contributions to Diffusion in Complex Materials Quantified with Machine Learning
Design Metastability in High-Entropy Alloys by Tailoring Unstable Fault Energies
Electronic-Structure-Guided Tailoring of Refractory High-Entropy Alloys for Extreme Environment
Electronic Descriptors for Dislocation Deformation Behavior and Intrinsic Ductility in bcc High-Entropy Alloys
Entropy for Energy: High-Entropy Materials for Energy Applications
Factors Affecting Calculated Properties of RHEAs Using Density Functional Theory
From BIG-Data to HOT-Properties of High-Entropy Carbides and Carbo-Nitrides
Grain Boundary Segregation-Driven Elemental Patterning Amplifies Chemical Short-Range Order in NiCoCr
Lattice Correspondence Analyses of Phase Transformations in a High Entropy Alloy
Machine Learning Design of Additively Manufacturable Tungsten-Based Refractory Multi Principle Element Alloys with Enhanced Strength at Extreme Temperatures
Modeling Distribution of Unstable Stacking Fault Energy in bcc Refractory High-Entropy Alloys and its Implication to Ductility Assessment
Predicting Intrinsic Ductility of Refractory High Entropy Alloys
Predictive Screening of Phase Stability in High-Entropy Borides
Screening High-Entropy Oxide Compositions Using Machine Learned Interatomic Potential
Spinel-Structured Precipitate Morphology in High-Entropy Mg0.2Ni0.2Co0.2Cu0.2Zn0.2O Epitaxial Films: Thermodynamic and Phase-Field Investigations
ULTERA: A Data Ecosystem for High Entropy Materials (HEMs)
Using Materials Informatics to Quantify Complex Correlations Linking Structure, Properties and Processing in High-Entropy Alloys
Utilizing Atomistic Calculations for Processing High-Value Magnetic Material Derived from FeNiMoW

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