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RESEARCH PAPER · Materials & Design · 2020

Machine learning reveals the importance of the formation enthalpy and atom-size difference in forming phases of high entropy alloys

Lei Zhang, Hongmei Chen, Xiaoma Tao, Hongguo Cai, Jingneng Liu, Yifang Ouyang, Qing Peng, Yong Du

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Machine learning reveals the importance of the formation enthalpy and atom-size difference in forming phases of high entropy alloysOriginalImprovement of the machine learning-based corrosion rate prediction model through the optimization of input features202Generalized small set of ordered structures method for the solid-solution phase of high-entropy alloys18High-throughput calculations based on the small set of ordered structures method for non-equimolar high entropy alloys15Future Research Directions and Applications for High-Entropy Materials3Accelerated crystal structure prediction of multi-elements random alloy using expandable features21Predictive descriptors in machine learning and data-enabled explorations of high-entropy alloys73A focused review on machine learning aided high-throughput methods in high entropy alloy134A review on phase prediction in high entropy alloys35Machine learning-enabled identification of new medium to high entropy alloys with solid solution phases55Accelerated and conventional development of magnetic high entropy alloys207Emergence of machine learning in the development of high entropy alloy and their prospects in advanced engineering applications54Accelerated discovery of single-phase refractory high entropy alloys assisted by machine learning98Rapid screening of high-entropy alloys using neural networks and constituent elements34Machine learning models applied to TSS estimation in a reservoir using multispectral sensor onboard to RPA23Pitting Judgment Model Based on Machine Learning and Feature Optimization Methods22Designing hexagonal close packed high entropy alloys using machine learning17Machine learning assisted modelling and design of solid solution hardened high entropy alloys97Machine learning prediction of thermodynamic and mechanical properties of multicomponent Fe-Cr-based alloys24A Hybrid Deep Learning Model for Predicting Lifetime and Mechanical Performance Degradation of Multilayer Greenhouse Polyethylene Films6A machine learning-based alloy design system to facilitate the rational design of high entropy alloys with enhanced hardness335pyMPEALab Toolkit for Accelerating Phase Design in Multi-principal Element Alloys11Artificial Intelligence Modelling Based Optimization of an Industrial Scale Steam Turbine for Moving Towards Net-Zero in the Energy Sector0Machine Learning and Python Assisted Design and Verification of Fe–Based Amorphous/Nanocrystalline Alloy7Phase and Microstructural Selection in High Entropy Materials1Design high-entropy carbide ceramics from machine learning149Machine-learning-guided descriptor selection for predicting corrosion resistance in multi-principal element alloys104Phase classification of multi-principal element alloys via interpretable machine learning79Data-driven hardness prediction and analysis of {AlCoCrF eNiT iCu} system of High Entropy Alloys2A machine learning–based classification approach for phase diagram prediction51Modeling and mapping of Inselberg habitats for environmental conservation in the Atlantic Forest and Caatinga domains, Brazil11Machine learning-enabled framework for the prediction of mechanical properties in new high entropy alloys82Prediction of phase and hardness of HEAs based on constituent elements using machine learning models42Insights on phase formation from thermodynamic calculations and machine learning of 2436 experimentally measured high entropy alloys41Machine learning and Python assisted design and verification of Fe–based amorphous/nanocrystalline alloy38Machine learning-assisted design of biomedical high entropy alloys with low elastic modulus for orthopedic implants30Phase Prediction in High Entropy Alloys by Various Machine Learning Modules Using Thermodynamic and Configurational Parameters71A first-principles-based high fidelity, high throughput approach for the design of high entropy alloys31Overview: recent studies of machine learning in phase prediction of high entropy alloys56Phase prediction in high-entropy alloys with multi-label artificial neural network17An Odyssey from High Entropy Alloys to Complex Concentrated Alloys5Machine learning accelerates the materials discovery142Accelerating phase prediction of refractory high entropy alloys via machine learning11Hardness Predicting of Additively Manufactured High‐Entropy Alloys Based on Fabrication Parameter‐Dependent Machine Learning12Prediction of High-entropy Alloy Hardness Based on Ensemble Learning Combination Algorithm3Interpretable machine learning workflow for evaluation of the transformation temperatures of TiZrHfNiCoCu high entropy shape memory alloys62A Boosted Machine Learning Framework for the Improvement of Phase and Crystal Structure Prediction of High Entropy Alloys Using Thermodynamic and Configurational Parameters0A machine learning framework for discovering high entropy alloys phase formation drivers10Chemical Composition Based Machine Learning Model to Predict Defect Formation in Additive Manufacturing15Complex Multiphase Predicting of Additive Manufactured High Entropy Alloys Based on Data Augmentation Deep Learning1Complex Multiphase Predicting of Additive Manufactured High Entropy Alloys Based on Data Augmentation Deep Learning0Machine learning combined with solid solution strengthening model for predicting hardness of high entropy alloys7Summary of Efforts in Phase Prediction of High Entropy Alloys Using Machine Learning1The Prognosis of Simple Solid Solution for Lightweight High-Entropy Alloys Based on Al-Mg-Li0A New Approach for Predicting the Pressure Drop in Various Types of Metal Foams Using a Combination of CFD and Machine Learning Regression Models14Interpretable hardness prediction of high-entropy alloys through ensemble learning81Introduction of Materials Genome Technology and Its Applications in the Field of Biomedical Materials11Prediction of phase selection of amorphous alloys and high entropy alloys by artificial neural network19Tunable magnetic phase transition and magnetocaloric effect in the rare-earth-free Al-Mn-Fe-Co-Cr high-entropy alloys47Predicting properties of high entropy carbides from their respective binaries8Accelerated discovery of Fe-based amorphous/nanocrystalline alloy through explicit expression and interpretable information based on machine learning21Artificial Intelligence Modeling-Based Optimization of an Industrial-Scale Steam Turbine for Moving toward Net-Zero in the Energy Sector37Criteria of predicting phase formation for MSi2-Type High-Entropy refractory metal silicides15A framework to predict binary liquidus by combining machine learning and CALPHAD assessments21Predicting phases and hardness of high entropy alloys based on machine learning35Machine learning aided high-throughput first-principles calculations to predict the formation enthalpy of σ phase16Hydrogen trapping in vanadium carbide alloyed with transition metals5Accelerating First Principles Calculation of Multi-Component Alloy Steady-State Structure and Elastic Properties in Full Component Space0Prediction and design of high hardness high entropy alloy through machine learning79Inverse design of high entropy alloys using a deep interpretable scheme for materials attribution analysis21Complex multiphase predicting of additive manufactured high entropy alloys based on data augmentation deep learning18Sigma Phase Stabilization by Nb Doping in a New High-Entropy Alloy in the FeCrMnNiCu System: A Study of Phase Prediction and Nanomechanical Response7Thermodynamic Calculation on Glass Forming Ability of Mo-Co-B System1A First-Principles Study of Mechanical and Electronic Properties of Cr0.5-xAl0.5TMxN Hard Coatings (TM = Ti, V, Y, Zr, Hf, and Ta)4The Prognosis of Simple Solid Solution for Lightweight High-Entropy Alloys Based on the Al–Mg–Li System with Additions1Alloys innovation through machine learning: a statistical literature review14Designing of high entropy alloys with high hardness: a metaheuristic approach39Development of reduced-activation and radiation-resistant high-entropy alloys for fusion reactor36Compositional design and phase formation capability of high-entropy rare-earth disilicates from machine learning and decision fusion20Efficient learning strategy for predicting glass forming ability in imbalanced datasets of bulk metallic glasses4Predicting New Single/Multiphase-Structure High-Entropy Alloys Using a Pattern Recognition Network9Machine learning studies for magnetic compositionally complex alloys: A critical review33Machine Learning-Based Design of Superhard High-Entropy Nitride Coatings26Identifying grain size in ASTM A36 steel using ultrasonic backscattered signals and machine learning17Finite element method-enabled machine learning for analysing residual stress and plastic deformation in surface mechanical attrition-treated alloys4Local-distortion-informed exceptional multicomponent transition-metal carbides uncovered by machine learning19Supervised machine learning for multi-principal element alloy structural design5Bidirectional Phase Transformations in Multi‐Principal Element Alloys: Mechanisms, Physics, and Mechanical Property Implications46Efficient alloy design strategy for fast searching for high-entropy alloys with desired mechanical properties19Predicting the solid solution structure preference of multi-component alloys7CALPHAD-aided design for superior mechanical behavior in Ti40Zr20Hf40-xCrx eutectic refractory high-entropy alloys15RETRACTED: Exploring high entropy alloys: A review on thermodynamic design and computational modeling strategies for advanced materials applications95Efficient Phase Classification in Aluminum-Containing High Entropy Alloys Using Machine Learning0Recent machine learning-driven investigations into high entropy alloys: A comprehensive review37A survey of energies from pure metals to multi-principal element alloys3Applications of machine learning in high-entropy alloys: a review of recent advances in design, discovery, and characterization41Machine Learning for the Design of High Entropy Alloys: A Review3Phase Formation in Vacuum Arc Melted High Entropy Alloys: Insights From Machine Learning and Experimental Validation3Machine Learning–Based Prediction of Complex Combination Phases in High-Entropy Alloys5A fast composition-stability machine learning model for screening MAX phases and guiding discovery of Ti 2 SnN17Effect of fabrication techniques of high entropy alloys: A review with integration of machine learning37Interpretable phase structure and hardness prediction of multi-principal element alloys through ensemble learning0Developing new high-entropy alloys with enhanced hardness using a hybrid machine learning approach: integrating interpretability and NSGA-II optimization9Machine Learning-Based Computational Design Methods for High-Entropy Alloys49Quantitatively predicting and evaluating the hardness of amorphous ribbons via a deep learning-symbolic regression approach0Application of Machine Learning in Amorphous Alloys4Machine learning to explore the corrosion resistance and descriptor-property correlation analysis of high-entropy alloys6Machine-Learning-Assisted Phase Prediction in High-Entropy Alloys Using Two-Step Feature Selection Strategy10A phase prediction strategy of high entropy alloys manufactured by selective laser melting based on feature selection and machine learning12Accelerated computational design of BCC refractory high entropy alloys using metaheuristics, CALPHAD, and artificial neural networks7Prediction of low-modulus Ti-based refractory high-entropy alloys for orthopedic implants using machine learning and DFT calculations9Computation- and process-based design for advanced structural high-entropy alloy development and analyses: A critical review32Accelerated discovery of Al-Zn-Mg-Cu alloys with high-strength and high-plasticity by machine learning3High-Entropy Materials: A New Paradigm in the Design of Advanced Batteries66Electrodeposition of multi component alloys for hydrogen evolution reaction – A review3Composition design and process optimization of refractory boride coatings based on high-throughput preparation and machine learning2Microstructure-agnostic deep learning for mechanistic discovery of corrosion-resistant Co-Cr-Fe-Ni MPEAs10Investigation of short-range order and mechanical strength of AlCoCrFeNi high-entropy alloys using atomistic simulations and data analytics5Microstructural and Mechanical Evolution in High-Entropy Alloys: A Comprehensive Review of Applications and Research Challenges1Accelerated design of high-entropy alloys via probabilistic substitution and machine learning with first-principles validation of phase stability4AI meets high-entropy alloys: From classification and regression to explainable models and predictive discovery1Expanding the frontiers of oxidation catalysis with high-entropy material catalysts3Small features, big impact: Influence of overlooked microstructural features on high-entropy alloy predictions5Density functional theory insights into the structure, electronic and mechanical properties, thermodynamics, and diffusion of high-entropy alloys for hydrogen storage: A review19Hardness Prediction of NbTaW-Based High-Entropy Alloys with Machine Learning0Lattice-dependent formation enthalpy enhances machine-learning phase prediction of high-entropy alloys1Alloy-to-oxide transformation of a spinel-structured (Fe30Cr30Mn20Ni10V10)3O4 high-entropy alloy-oxide via mechanical alloying: Synthesis, phase stability, multivalent surface states, and radiation attenuation behaviour1SiC-induced multiphase regulation in Al0.25CoCrFeNiV0.35 high-entropy alloys: Tailoring mechanical properties in the as-cast state6Turbulent-centrifugal-spun ceramic aerogels with elemental difference maximization design for thermal protection over 2000 K in air1Artificial Intelligence‐Assisted Design of High‐Entropy Oxide Catalysts0From Data to Discovery: Crafting Data‐Driven Frameworks for Advancing OER Electrocatalysts0High-Entropy Alloys and Related Compositionally Complex Alloys: Design Principles, Structures, Processing, and Applications0Decomposition-assisted multiphase regulation by SiC: Linking passivation and micro-galvanic corrosion in CoCrFeNi-based high-entropy alloys0Aluminium-containing high-entropy alloys: From thermodynamic design to service performance: A critical review0

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