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Meeting 2026 TMS Annual Meeting & Exhibition
Symposium Accelerated Discovery and Insertion of Next Generation Structural Materials
Presentation Title Rapid and Flexible Design of Alloys Using The Alloy Optimization Software (TAOS)
Author(s) Aurelien Perron, Nicholas Ury, Brandon Bocklund, Vincenzo Lordi
On-Site Speaker (Planned) Aurelien Perron
Abstract Scope The Alloy Optimization Software (TAOS) is a user-friendly tool that allows for rapid design of alloys through black-box optimization. By coupling with Calphad-based software packages such as PyCalphad and Thermo-Calc, users can leverage their own private or unencrypted databases, commercial databases, or a combination of thereof to meet their specific alloy optimization needs. With a “bring-your-own-model” feature, TAOS also allows users to go beyond Calphad-based calculations and incorporate custom properties into their alloy design. In addition, TAOS provides bi-objective optimization and sensitivity analysis that enables visualizing the relationships between the composition and desired properties. Case studies will be presented to showcase TAOS’s user-friendly interface and how users are able to create their own models and utilize these new features to aid in their alloy design efforts. TAOS can be directly licensed by end users: https://softwarelicensing.llnl.gov/product/taos Prepared by LLNL under Contract DE-AC52-07NA27344.
Proceedings Inclusion? Planned:
Keywords Other,

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Combinatorial Approach for the Development of Ternary Alloys
Accelerated Discovery of Additively Manufacturable Al-Zr-Er-Ni Alloys with Enhanced Strength and Ductility Via CALPHAD-Based ICME Technique
Accelerated Mapping of Metallurgical Impact Bonding of GRX 810 Nickel ODS AM Alloys Using Laser Induced Particle Impact Testing (LIPIT)
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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