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RESEARCH PAPER · Computational Materials Science · 2021

Accelerated discovery of single-phase refractory high entropy alloys assisted by machine learning

Yonggang Yan, Dan Lü, Kun Wang

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Accelerated discovery of single-phase refractory high entropy alloys assisted by machine learningOriginalThe Oxidation-Resistance Mechanism of Wtanbtial Refractory High Entropy Alloy92Additive manufacturing of in-situ strengthened dual-phase AlCoCuFeNi high-entropy alloy by selective electron beam melting54Machine learning assisted modelling and design of solid solution hardened high entropy alloys97Prediction of Wind Load Power Spectrum on High-Rise Buildings by Machine Learning Based Algorithms0An interpretable hybrid Machine learning prediction of dielectric constant of alkali halide crystals20Phase classification of multi-principal element alloys via interpretable machine learning79High-Throughput CALPHAD: A Powerful Tool Towards Accelerated Metallurgy33Modeling Radiation Damage in Materials Relevant for Exploration and Settlement on the Moon2A Graph-Based k-Nearest Neighbor (KNN) Approach for Predicting Phases in High-Entropy Alloys35Medical high-entropy alloy: Outstanding mechanical properties and superb biological compatibility44Latest progress on refractory high entropy alloys: Composition, fabrication, post processing, performance, simulation and prospect94Machine learning for high-entropy alloys: Progress, challenges and opportunities397Bayesian vs Evolutionary Optimisation in Exploring Pareto Fronts for Materials Discovery0Bayesian vs Evolutionary Optimisation in Exploring Pareto Fronts for Materials Discovery1Overview: recent studies of machine learning in phase prediction of high entropy alloys56Phase prediction in high-entropy alloys with multi-label artificial neural network17High-throughput materials screening algorithm based on first-principles density functional theory and artificial neural network for high-entropy alloys56Element-wise representations with ECNet for material property prediction and applications in high-entropy alloys24Light-weight refractory high-entropy alloys: A comprehensive review231Improving machine learning based phase and hardness prediction of high-entropy alloys by using Gaussian noise augmented data96Machine-learning-guided phase identification and hardness prediction of Al-Co-Cr-Fe-Mn-Nb-Ni-V containing high entropy alloys62CoSMoR: Decoding decision-making process along continuous composition pathways in machine learning models trained for material properties3Data-driven discovery of a formation prediction rule on high-entropy ceramics42Automatic graph representation algorithm for heterogeneous catalysis6Accelerated discovery of oxidation-resistant ultra-high temperature ceramics via data driven methodology11Elemental effect on the phase formation and mechanical properties in the FeNiMnCuAlTi alloy system4Review on applications of artificial neural networks to develop high entropy alloys: A state-of-the-art technique47Unveiling glass forming ability patterns in bulk metallic glasses via advanced machine learning approaches10Accelerated design of low-activation high entropy alloys with desired phase and property by machine learning11Data-driven analysis and prediction of stable phases for high-entropy alloy design50Boron Enhanced Complex Concentrated Silicides – A bridge between lightweight, oxidation-resistant Refractory Metal Silicides and Refractory Complex Concentrated Alloys4Lightweight Al-based entropy alloys: Overview and future trend27Descriptors for phase prediction of high entropy alloys using interpretable machine learning36Quantitative analysis of MoS2 thin film micrographs with machine learning9Design and Selection of High Entropy Alloys for Hardmetal Matrix Applications Using a Coupled Machine Learning and Calculation of Phase Diagrams Methodology16Machine learning accelerated discovery of corrosion-resistant high-entropy alloys63Alloys innovation through machine learning: a statistical literature review14Recent advances in modelling structure-property correlations in high-entropy alloys64Machine learning-aided phase and mechanical properties prediction in multi-principal element alloys11Exploring Multicomponent Phase Space to Discover New Materials21Prediction of wind load power spectrum on high-rise buildings by various machine learning algorithms12Supervised machine learning for multi-principal element alloy structural design5Predicting the solid solution structure preference of multi-component alloys7High entropy alloys for hydrogen storage applications: A machine learning-based approach35Machine learning-assisted design of high-entropy alloys with superior mechanical properties51Predicting Yield Strength and Plastic Elongation in Body-Centered Cubic High-Entropy Alloys5Improved phase prediction of high-entropy alloys assisted by imbalance learning15Machine learning-assisted design of refractory high-entropy alloys with targeted yield strength and fracture strain60The path towards plasma facing components: A review of state-of-the-art in W-based refractory high-entropy alloys39Harnessing machine learning for predictive modelling of high entropy alloy phases11Making Multicomponent Materials0Efficient generation of grids and traversal graphs in compositional spaces towards exploration and path planning9Comparing Machine Learning Models for Strength and Ductility in High-Entropy Alloys9Machine Learning Advances in High-Entropy Alloys: A Mini-Review25Rapid Assessment of Stable Crystal Structures in Single-Phase High-Entropy Alloys via Graph Neural Network-Based Surrogate Modelling2Graph-Based Data Analysis for Building Chemistry–Phase Design Rules for High Entropy Alloys3Applications of machine learning in high-entropy alloys: a review of recent advances in design, discovery, and characterization41Essential Oils as Antimicrobials against Acinetobacter baumannii : Experimental and Literature Data to Definite Predictive Quantitative Composition–Activity Relationship Models Using Machine Learning Algorithms10Effect of fabrication techniques of high entropy alloys: A review with integration of machine learning37EFTGAN: Elemental features and transferring corrected data augmentation for the study of high-entropy alloys20Research on Performance Prediction Method of Refractory High-Entropy Alloy Based on Ensemble Learning6Multi-principal element nanoparticles: Synthesis strategies and machine learning prediction18Design of BCC/FCC dual-solid solution refractory high-entropy alloys through CALPHAD, machine learning and experimental methods32Design methods of high-entropy alloys: Current status and prospects21Design of Ni-based single crystal superalloys by machine learning based on data-driven multi-task optimization4Design of refractory complex concentrated alloys combining good tensile strength and ductility at 22–1000 °C6Machine learning assisted phase prediction of refractory multi-component alloys based on data from low-, medium-, and high-entropy alloys10A phase prediction strategy of high entropy alloys manufactured by selective laser melting based on feature selection and machine learning12Atomic Interaction-Based Prediction of Phase Formations in High-Entropy Alloys6Accelerated computational design of BCC refractory high entropy alloys using metaheuristics, CALPHAD, and artificial neural networks7Hybrid Feature Learning for Crystal System and Space Group Classification from Standard XRD Patterns1Transfer Analysis of Machine Learning Models Trained on Simulated XRD Patterns to Real Powder XRD Experimental Data1Review of machine learning-assisted multi-property design of high-entropy alloys: phase structure, mechanical, tribological, corrosion, and hydrogen storage properties18Predicting the formation of single-phase high-entropy alloys using the tight-binding approximation0Achieving interpretable and efficient design of lightweight multi-principal element alloys via machine learning with optimized strengthening-toughening models14Spiers Memorial Lecture: Multicomponent and high-entropy materials: an overview4AI Design for High Entropy Alloys: Progress, Challenges and Future Prospects16Machine learning‐based research of new refractory high‐entropy alloys using guided multiobjectives search strategy5Advancing biomaterial research with artificial intelligence4Hardness prediction of refractory high entropy alloys through gradient boosting and SHAP analysis based machine learning7Materials Informatics approach to design new high-entropy shape memory alloys4Emerging design paradigms and microstructural innovations in refractory high-entropy alloys: a critical review11A ML-Driven Framework for Phase Prediction in High-Entropy Alloys0Supervised machine learning for corrosion assessment of multi-principal element alloys using experimental and generative datasets8Accelerated design of high-entropy alloys via probabilistic substitution and machine learning with first-principles validation of phase stability4A Perspective on the Historical and Contemporary Development of Refractory Alloys14Machine learning driven insights into yield strength of multi-principal element alloys0AI meets high-entropy alloys: From classification and regression to explainable models and predictive discovery1A multi-fidelity active learning framework for accelerated alloy design8Designing refractory complex concentrated alloys for extreme environments2Lattice-dependent formation enthalpy enhances machine-learning phase prediction of high-entropy alloys1A review on the thermal protection technologies of reusable hypersonic vehicles0Machine learning-driven accelerated discovery of high-entropy alloys: From composition engineering to multifunctional property prediction0Improvement of high temperature oxidation behavior of refractory high entropy alloys using protective coatings0Enhancing strength-ductility synergy in BCC refractory high-entropy alloys via machine learning and bimodal heterostructure design0A Dual Machine‐Learning Framework for Predicting Phase Stability and Mixing Enthalpy Difference in MSi 2 ‐Type High‐Entropy Refractory Metal Silicides0Machine Learning and Edge Dislocation Theory Enabled Accelerated Design of High-Strength, BCC, Non-Equimolar NbMoTiVZr Refractory High Entropy Alloys0Machine learning-guided multiclass phase prediction and DFT-validated BCC alloy design in refractory high-entropy alloys0

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  2. Additive manufacturing of in-situ strengthened dual-phase AlCoCuFeNi high-entropy alloy by selective electron beam melting

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  3. Machine learning assisted modelling and design of solid solution hardened high entropy alloys

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  4. Prediction of Wind Load Power Spectrum on High-Rise Buildings by Machine Learning Based Algorithms

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  5. An interpretable hybrid Machine learning prediction of dielectric constant of alkali halide crystals

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  6. Phase classification of multi-principal element alloys via interpretable machine learning

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  9. A Graph-Based k-Nearest Neighbor (KNN) Approach for Predicting Phases in High-Entropy Alloys

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  10. Medical high-entropy alloy: Outstanding mechanical properties and superb biological compatibility

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  11. Latest progress on refractory high entropy alloys: Composition, fabrication, post processing, performance, simulation and prospect

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  12. Machine learning for high-entropy alloys: Progress, challenges and opportunities

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  15. Overview: recent studies of machine learning in phase prediction of high entropy alloys

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  18. Element-wise representations with ECNet for material property prediction and applications in high-entropy alloys

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  19. Light-weight refractory high-entropy alloys: A comprehensive review

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  21. Machine-learning-guided phase identification and hardness prediction of Al-Co-Cr-Fe-Mn-Nb-Ni-V containing high entropy alloys

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  22. CoSMoR: Decoding decision-making process along continuous composition pathways in machine learning models trained for material properties

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