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Meeting 2026 TMS Annual Meeting & Exhibition
Symposium Accelerated Discovery and Insertion of Next Generation Structural Materials
Presentation Title Machine-Learning Prediction of Yield Strength for W-Ta-Nb Alloy from Room Temperature to 2000°C
Author(s) Zhiyang An, Bo Ni, Benjamin Glaser, Amaranth Karra, Bryan Webler, S. Mohadeseh Taheri-Mousavi
On-Site Speaker (Planned) Zhiyang An
Abstract Scope W-Ta-Nb alloys are promising candidates for extreme temperature applications given their refractory nature. However, getting reliable yield strength predictions for these alloys from room temperature up to 2000 °C remains difficult yet crucial for developing next-generation engines and reactors. In this work, we gather not only experimental strength data from literature but also modeling predictions using atomistic simulations and theoretical models. The data are fed into an integrated computational materials engineering workflow that links alloy composition and temperature to yield strength. We test three models: a phenomenological model that adopts the Walbrühl solid-solution rule, a mechanics-based model that considers dislocation-based mechanisms, and a machine-learning model trained on both experimental and simulation data. We will compare the three approaches, reveal the limitations of each model, and finally will combine to demonstrate a more reliable model that can predict strength over the whole 25–2000 °C range.
Proceedings Inclusion? Planned:
Keywords High-Entropy Alloys, Mechanical Properties, Additive Manufacturing

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

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Accelerating W-Alloy Design with Physics-Guided Machine Learning
AlloyBot: An Automatic Arc-Melting System for High-Throughput Alloy Synthesis
Automated High-Throughput Characterization of Structural Materials for Extreme Environments
CALPHAD Based Screening for Rapid Training of Alloy Design Models
Coupled Design and Characterization Tools to Enable Components with Spatially Varying Materials and Properties
DARPA METALS: Introducing New Material Test Methods and Design Optimization Paradigms for Future Multi-Material Structures
E-44: Evaluating Elemental Powder-Based Direct Energy Deposition for High-Throughput Synthesis of Alloys
Generative Design of Compositionally Graded Turbine Rotors
Hydrogen Embrittlement Behavior of Ni-Based Alloy Fabricated by Laser-Powder Bed Fusion
Leveraging Domain Knowledge for Optimal Initialization in Materials Optimization Frameworks
Machine-Learning Prediction of Yield Strength for W-Ta-Nb Alloy from Room Temperature to 2000°C
Machine Learning Domain Knowledge-Based Design of Alloys with High Strength
Microstructural Evolution During Processing and Creep of Re-Free Single Crystal Superalloy ERBO/15
Multimaterial Structures: Materials, Test Methods, Models and Data Enabled Topology Optimized Design
New Insights into the Evolution of Powder Metallurgy (PM) Ni-Based Superalloys During Consolidation and Thermomechanical Processing
Novel Approach to Rapid Material Characterization and Multi-Material Design Optimization
On the Effect of Temperature Cycling and Stress on the Formation of σ-Phase in Single Crystal Superalloys
RADICAL: Rapid Array DImple-Based Co-Design of Gradient MateriaL and Geometry
Rapid and Flexible Design of Alloys Using The Alloy Optimization Software (TAOS)
Rapid Exploration of Al-Ti-Fe-Si Alloys Via Automated High-Throughput Laboratory X-Ray Diffraction (XRD) and Fluorescence Analysis (XRF)
Simultaneous Design and Discovery of Functionally-Graded Alloys, Supported by Material Informatics and Rapid Testing
SMART: Novel Material Library Synthesis to Accelerate Structural Alloy Discovery
Success and Challenges with Qualifying 6061-RAM2 and 7050-RAM2 Aluminum Alloys for LBPF Additive Manufacturing
"Old-Fashioned" Cast & Wrought Ni-Base Superalloys - Some Remaining Challenges for Alloy and Process Design

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