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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Refractory Metals 2023
Presentation Title BIRDSHOT: An Accelerated Program for the Discovery and Optimization of Refractory High Entropy Alloys
Author(s) Raymundo Arroyave, Brent Vela, Danial Khatamsaz, William Trehern, Ibrahim Karaman, Weiwei Zhang, Douglas Allaire, Paul Mason, Duane Johnson, Prashant Singh, Axel van de Walle, Miladin Radovic, Ankit Srivastava
On-Site Speaker (Planned) Raymundo Arroyave
Abstract Scope The Refractory High Entropy Alloy (RHEA) space is vast and it is impossible to explore using conventional approaches to materials discovery. In this talk, we present the Batch-wise Improvement in Reduced Design Space using a Holistic Optimization Technique (BIRDSHOT) framework. BIRDSHOT incorporates the strengths of ICME and combinatorial methods, while addressing all their drawbacks, as it: (i) employs novel machine learning (ML) and data-driven search algorithms to identify efficiently the feasible regions amenable to optimization; (ii) exploits correlations to fuse simulations and experiments to obtain efficient ML models for predicting PSPP relations; (iii) uses Bayesian Optimization (BO) to make globally optimal iterative decisions regarding which region in the RHEA space to explore/exploit, leveraging existing models and data; (iv) is capable of carrying out multiple optimal parallel queries to the design space. We show how we have been using BIRDSHOT to search for next generation refractory alloys for turbine engine applications.
Proceedings Inclusion? Undecided
Keywords High-Entropy Alloys, ICME, Machine Learning

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A New Tungsten Alloy for Fusion Reactors
A Structural Signature for Ductility in Chemically Complex Alloys
Alloys of Chromium-Silicon Alloys with Iron and Nickel for Structural High Temperature Applications
Bcc-Superalloy Nano-structured Tungsten and Refractory High entropy Alloys
BIRDSHOT: An Accelerated Program for the Discovery and Optimization of Refractory High Entropy Alloys
Building Fundamentals for Data-Driven Discovery of Refractory High Entropy Alloys with Targeted Mechanical Properties via First-principles and Machine Learning
CALPHAD Assessment of Mo-V-W-Nb-Ta High Entropy Alloys with CVM Based, Temperature Dependent Short Range Order Corrections. ULTIMATE
Chromium-based bcc-Superalloys Tailored by Iron Addition
Concurrent Design of a Multimaterial Niobium Alloy System for Next-generation Turbine Applications
Data-augmented Property Modeling for Accelerated Closed-loop Multi-Objective Design of Refractory High Entropy Alloys for ULTIMATE
Design and Correlative Mapping Characterizations of High-entropy Alloys for Nuclear Applications
Development of Ruthenium-Based Alloy Wire for Highly Efficient OLED Vacuum Deposition
Dislocation Emission from Crack Tips in Cr Studied by In-situ TEM
Effects of Cr Content, Second Phase Formation and Sintering Temperature on Characteristics of WMoVTiCr Refractory High-entropy Alloys
High-throughput Design, Synthesis, and Characterization of Refractory Multi-principal Element Alloys (MPEAs) for ULTIMATE
High-throughput Design, Synthesis, and Characterization of W-based Refractory Multi-principal Element Alloys (MPEAs)
High Entropy Rare-earth Oxide (HERO) Coatings for Refractory Alloys
Impact of Ti and Al on Ordered B2 Formation in Potential High Temperature RCCAs
Insights on the Fatigue Crack Growth Behaviour of Rolled Tungsten for Its Application in Nuclear Fusion
J-104: Investigating Heat-treatment and Strain Path Effects on the Recrystallization of High-purity Niobium
J-105: Accelerated Design of Radiation Tolerant Alloys for Nuclear Fusion
J-93: An Additive Manufacturing System for High-resolution Composition Grading Combining Inkjet Deposition with Laser Powder Bed Fusion
J-94: Challenges in the Development of a Creep-Resistant Nb- Alloy Capable of 1300°C Service
J-95: Fundamentals of Recrystallization in Binary Nb Alloys
J-97: The Oxidation Behavior of the Eutectic Alloy Mo-20Si-52.8Ti in Dry and Wet Atmospheres
J-98: Ultrahigh Temperature Testing Methodology for Refractory Alloys
Mechanical Properties of WMoFeNi Alloys during High Strain-rate Testing
Mechanistic Models of the Inelastic Deformation of Refractory BCC Metals
Microstructural and Compositional Evolution in the Tantalum Vanadium System: Towards Refractory Alloys for Extreme Environments
Morphological Impacts on the Stress Relaxation and Strain Rate Sensitivity in Tungsten Heavy Alloy (WHA)
New Environmental-thermal Barrier Coatings for Ultrahigh Temperature Alloys
Novel Refractory Bond Coat Alloy Capable of Alumina Formation Up to 1400°C (ULTIMATE Project)
Phase Identification in Mo-Si-B-Ti Alloys
Recent Developments in Refractory Complex Concentrated Alloys (RCCAs)
Refractory Alloys for Future Aerospace Applications
Rhenium Effect on the Microstructure and Mechanical Properties of NbTiZr and TaTiZr Equiatomic Alloys
Selection, Processing and Characterization of Cr-containing Multiphase Refractory Complex Concentrated Alloys
Strengthening in Mo-La Alloys at Temperatures from 1500 ⁰C to 1700 ⁰C
Stress Relaxation Behavior of Molybdenum Sheet
Study of the Interactions of Niobium with Oxygen from First Principles with Bayesian Uncertainty Quantification
The Influence of Thermally Activated Dislocation Motion on the Brittle-ductile Transition of BCC Refractory Metals
The Phase, Microstructure and Mechanical Properties of High Entropy Mo-Nb-Ti-V-W-Zr Ultrahigh Temperature Refractory Alloy
Thermal Transport Modeling in Refractory Multi-principal Element Alloys: A High-throughput Density-functional Theory Approach
ULTIMATE: Additive Manufacturing of Ultrahigh Temperature Mo-Si-B Alloys
Ultimate: Affordable, Durable Precipitation Strengthened Refractory High Entropy Alloys for Use at 1300 Celsius and Above
ULTIMATE: Alloy Designs for High Temperature Mo-Si-B Base Systems
ULTIMATE: Arc Melting and Additive Manufacturing of Refractory Complex Concentrated Alloys and Composites
ULTIMATE: Machine Learning Guided Oxide Dispersion Strengthened Refractory HEA Discovery
ULTIMATE: Refractory Metal Alloys for Gas Turbine Applications – A New Age of Ultrahigh Temperature Materials
ULtrahigh TEmperature Refractory Alloys (ULTERA) Database and Data Quality Assurance
Understanding Process-performance Trade-offs in Additively Manufactured Refractory Metals and Refractory HEAs to Drive Future RHEA Design

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