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Meeting 2026 TMS Annual Meeting & Exhibition
Symposium Environmental Degradation of Multiple Principal Component Materials
Presentation Title Machine-Learned Accelerated Discovery of Oxidation-Resistant NiCoCrAl High-Entropy Alloys
Author(s) Dennis Boakye, Chuang Deng
On-Site Speaker (Planned) Dennis Boakye
Abstract Scope The development of oxidation-resistant high-entropy alloy (HEA) bond coats is restricted by the limited understanding of how multi-principal element interactions govern scale formation across temperatures. This study un-covers new oxidation trends in NiCoCrAl HEAs using a data-driven anal- ysis of high-fidelity experimental oxidation data. The results reveal a clear temperature-dependent transition between alumina- and chromia-dominated protection, identifying the compositional regimes where alloys rich in Al dominate at ≥ 1150 °C, mixed Al–Cr chemistries are optimal at intermediate temperatures, and, unexpectedly, Cr-rich low-Al alloys perform best at 850 °C—challenging the assumption that high Al is universally required. The effects of Hf and Y are shown to be strongly composition-dependent with Hf producing the largest global reduction in oxidation rate, while Y becomes effective primarily in NiCo-lean alloys. Y–Hf co-doping offers consistent improvement but exhibits site-saturation behavior. These insights identify new high-performing HEA bond-coat families, including Ni17Co23Cr30Al30 as a substitute for conventional mutlilayer thermal barrier coatings.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, High-Entropy Alloys, Machine Learning

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Accelerated Discovery of Corrosion-Resistant Co-Cr-Fe-Ni High-Entropy Alloys via Deep Learning
Accelerated Discovery of Oxidation-Resistant Refractory Compositionally Complex Alloys via High-Throughput Diffusion Multiples and Active Learning.
Benchmarking Order-Based Properties in Multiprincipal Element Alloys from Single to Multiphase Systems
Computational Design of Cost-Effective Multi-Functional Environmental Barrier Coatings
Data-Driven Prediction of Materials Electrochemical Stability
Design and Evaluation of Low-Cost Multicomponent Rare Earth Disilicate Environmental Barrier Coatings
Dislocations and Multiphase States in High Entropy Oxides
Effect of Heat Treatment on the Microstructure of Two FeCrNi-Based MPEAs and Their Response to Ion Irradiation
Effects of Annealing on Phase Transformation and Corrosion Mechanism of Severely Deformed Al0.3CoCrFeNi High-Entropy Alloy
Extensive Corrosion of Economizer Finned Tubes Made of SA 178 Grade A
High-Throughput Mapping of Properties of CoNiX for Improved Erosion Resistance
Hydrogen Diffusion and Twin-Assisted Embrittlement in CoCrFeMnNi High-Entropy Alloy at Cryogenic Conditions
Machine-Learned Accelerated Discovery of Oxidation-Resistant NiCoCrAl High-Entropy Alloys
Magnetic Nanoparticles of (Al0.6Mn0.6Fe0.6Co0.6Ni0.6)O4 High Entropy Oxide for Photocatalytic Degradation of Organic Dye
Magnetic Nanoparticles of (Al0.6Mn0.6Fe0.6Co0.6Ni0.6)O4 Hign Entropy Oxide for Photocatalytic Degradation of Organic Dye
Observing Hydrogen Trapping in a L12-Precipitate-Strengthened CoCrNi(TiAl) Alloy
Performance of AM NiCoCr-Based Alloys: Cyclic Oxidation in Air and Air-Steam Environments
Probing Irradiation-Induced Void Swelling in CrFeMnNi Compositionally Complex Alloys Using High-Throughput Irradiation and Characterization Methods
Study on a Synergetic Effect of Multiple Elements on the Passivation Behavior of Alx(FeNiVTi)100-x Alloys
Tantalate as a Novel Grown Oxide to Protect Refractory Metal Alloys
The Third Element Effect on Aqueous Passivity in Cr Containing 3-d Transition Based Ternary, Quaternary, and Compositionally Complex Alloys
Tuning the Oxidation Behavior of Nb-Mo-Ti-Al-X Alloys at Intermediate Temperatures
Understanding the Interaction of Hydrogen With Various Defects in MP35N Alloy
Variable-Temperature Plasmonic High-Entropy Carbides

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