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RESEARCH PAPER · Frontiers in Materials · 2020

High-Throughput Calculations for High-Entropy Alloys: A Brief Review

Ruixuan Li, Lu Xie, William Yi Wang, Peter Kaehuei Liaw, Yong Zhang

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High-Throughput Calculations for High-Entropy Alloys: A Brief ReviewOriginalMechanical Behavior of High-Entropy Alloys: A Review32Modelling of phase stability: integrating computational materials science and materials informatics3Prediction of Rubber Fiber Concrete Strength Using Extreme Learning Machine35Revealing high-fidelity phase selection rules for high entropy alloys: A combined CALPHAD and machine learning study133Editorial: Data-Driven Integrated Computational Materials Engineering for High-Entropy Materials2Preliminary assessment of high-entropy alloys for tritium storage15Microstructural and compositional design principles for Mo-V-Nb-Ti-Zr multi-principal element alloys: a high-throughput first-principles study40Improved tribological behavior of plasma-nitrided AlCrTiV and AlCrTiVSi high-entropy alloy films59Designing hexagonal close packed high entropy alloys using machine learning17High entropy alloys towards industrial applications: High-throughput screening and experimental investigation66A machine learning accelerated distributed task management system (Malac-Distmas) and its application in high-throughput CALPHAD computation aiming at efficient alloy design44High entropy alloy synthesis, characterisation, manufacturing & potential applications: a review83Big data-assisted digital twins for the smart design and manufacturing of advanced materials: from atoms to products29Theoretical Prediction of High Entropy Intermetallic Compound Phase: A Case of Equimolar Alticuco0Recent progress on the development of high entropy alloys (HEAs) for solid hydrogen storage: A review200Machine learning based approach for phase prediction in high entropy borides51Machine learning-enabled framework for the prediction of mechanical properties in new high entropy alloys82Properties and processing technologies of high-entropy alloys62Recent Progress with BCC-Structured High-Entropy Alloys147High-Throughput CALPHAD: A Powerful Tool Towards Accelerated Metallurgy33Insights on phase formation from thermodynamic calculations and machine learning of 2436 experimentally measured high entropy alloys41Characterisation of a Novel Complex Concentrated Alloy for Marine Applications3Autonomous materials discovery and manufacturing (AMDM): A review and perspectives18High Entropy Materials - Microstructures and Properties16X-ray Thermo-Diffraction Study of the Aluminum-Based Multicomponent Alloy Al58Zn28Si8Mg69High-Throughput Design of Multi-Principal Element Alloys with Spinodal Decomposition Assisted Microstructures17Theoretical prediction of high entropy intermetallic compound phase via first principles calculations, artificial neuron network and empirical models: A case of equimolar AlTiCuCo9Simulation and Calculation for Predicting Structures and Properties of High-Entropy Alloys12Solid Solution Strengthening in High-Entropy Alloys12Additive manufacturing of metallic glasses and high-entropy alloys: Significance, unsettled issues, and future directions80A review on high-throughput development of high-entropy alloys by combinatorial methods76Physics-Constrained Neural Networks for Predicting Phase Transformation Pathways in Multi-Component Alloys0Tensile behavior of hexagonal rare-earth-based low, medium, and high entropy alloys: Strengthening effect of configurational entropy17On the laser additive manufacturing of high-entropy alloys: A critical assessment of in-situ monitoring techniques and their suitability46Theory and molecular simulations of plasma sputtering, transport and deposition processes29Critical Roles of Impurities and Imperfections in Various Phases of Materials8Interpretable hardness prediction of high-entropy alloys through ensemble learning81Assessing the high concentration of vacancies in refractory high entropy alloys6A method to computationally screen for tunable properties of crystalline alloys6Comprehensive ab initio study of effects of alloying elements on generalized stacking fault energies of Ni and Ni 3 Al19Machine learning enabled processing map generation for high-entropy alloy38Computational discovery of ultra-strong, stable, and lightweight refractory multi-principal element alloys. Part I: design principles and rapid down-selection23Sintering of metallic diamond alloy powders2Recent progress on the synthesis and applications of high-entropy alloy catalysts40Structural Phase State of High-Entropy NbTiHfVZr Alloy6STRUCTURAL-PHASE STATUS OF HIGH ENTRICITY NbTiHfVZr ALLOY0On the application of high‐throughput experimentation and data‐driven approaches in metallic glasses19A New Phase Classifier with an Optimized Feature Set in ML-Based Phase Prediction of High-Entropy Alloys5Fundamental design strategies for advancing the development of high entropy alloys for thermo-mechanical application: A critical review110Lightweight Fe47Mn25Al13Cr7Ni5C3 medium-entropy alloy with enhanced mechanical properties4Phase diagram-guided composition design and property investigation of Ni-based filler metals19Data-driven analysis and prediction of stable phases for high-entropy alloy design50Lightweight Al-based entropy alloys: Overview and future trend27Controllable synthesis of high-entropy alloys137Designing a Novel Low-Density, High-Strength Ti27.5zr26.5nb25.5ta8.5al12 Refractory High-Entropy Alloy for High-Temperature Applications0Efficient first principles based modeling via machine learning: from simple representations to high entropy materials23High-temperature oxidation behavior of transition metal complex concentrated alloys (TM-CCAs): a comprehensive review5Investigation of Phase Stability, Mechanical Properties, and Tribological Behavior of Al-Cu-Zn-Sn-Mg-Ti High Entropy Aluminum Alloys0Mechanical Alloying of Super Alloys Like High-Entropy Alloys and Smart Materials7Phase Prediction, Microstructure and Mechanical Property of Spark Plasma Sintered Titanium Aluminide-Based High-Entropy Alloys0SOLIDIFACTION CRACKING IN ADDITIVELY MANUFACTURED HIGH ENTROPY ALLOY NiCrCoFe WITH V OR W0THE PERFORMANCE OF HIGH-ENTROPY ALLOYS IN AGGRESSIVE ENVIRONMENTS0Sigma Phase Stabilization by Nb Doping in a New High-Entropy Alloy in the FeCrMnNiCu System: A Study of Phase Prediction and Nanomechanical Response7Structure-Phase Status of the High-Entropy AlNiNbTiCo Alloy0Machine Learning Design for High-Entropy Alloys: Models and Algorithms53Improving the mechanical properties of Cantor-like alloys with Bayesian optimization14Ab initio property predictions of quinary solid solutions using small binary cells2First-principles residual resistivity using a locally self-consistent multiple scattering method4High-entropy alloys in thermoelectric application: A selective review13Machine learning-based performance predictions for steels considering manufacturing process parameters: a review26APPLICATION OF HIGH-ENTROPY ALLOYS IN HYDROGEN STORAGE TECHNOLOGY9Recent advances in modelling structure-property correlations in high-entropy alloys64A Modern Approach to HEAs: From Structure to Properties and Potential Applications40A Brief Review on High Entropy Alloys (HEAs)0High-throughput and data-driven machine learning techniques for discovering high-entropy alloys77Accelerating high-entropy alloy discovery: efficient exploration via active learning36Additively manufactured high-entropy alloys for hydrogen storage: Predictions31Exploring Multicomponent Phase Space to Discover New Materials21In-situ synthesis of Alx-Co-Cr-Ni high entropy alloys via twin-wire and arc additive manufacturing (T-WAAM): microstructure evolution and mechanical properties13The future of hydrogen economy: Role of high entropy alloys in hydrogen storage71High Entropy Alloys: Emerging Materials for Advanced Hydrogen Storage30Enhancing classical Scheil–Gulliver model calculations by predicting generated phases and corresponding compositions through machine learning techniques4Structure and Stability of High Entropy CrMnFeCoNiCu Alloy0Tribological and Thermodynamic Properties of the High Entropy Alloys CrMnFeCoNi and CuCrMnFeCoNi, Their Stability, and Structure Prediction2The integral role of high‐entropy alloys in advancing solid‐state hydrogen storage63Making Multicomponent Materials0RETRACTED: Exploring high entropy alloys: A review on thermodynamic design and computational modeling strategies for advanced materials applications95Structural Evolution Study of Titanium–Vanadium–Niobium Nanoparticles from Single to Multicomponent Systems0Investigation of phase stability, mechanical properties, and tribological behavior of Al-based entropy alloys2Quantitative Phase Analysis of a Coating Based on a CrMnFeCoNiCu High-Entropy Alloy0Designing a novel low-density, high-strength Al12Nb25.5Ta8.5Ti27.5Zr26.5 refractory high-entropy alloy for medium-temperature applications13Recent progress of top-performing electrocatalytic materials for water oxidation and recent machine learning edge: An overview upto 20242First principles study of structural, electronic and charge transfer properties of high entropy alloys1Physics-informed Gaussian process classification for constraint-aware alloy design5Processing and Characterization of CoCrFeNiAl High-Entropy Alloy by Mechanical Alloying and Spark Plasma Sintering0Accelerated discovery of nanostructured high-entropy alloys and multicomponent alloys via high-throughput strategies41Coupling different strengthening mechanisms with transformation-induced plasticity (TRIP) effect in advanced high-entropy alloys: A comprehensive review76Thermal effects on the mechanical, electrochemical, and surface properties of a Ti–20Zr–5Ta–2Ag alloy for potential industrial and biomedical applications5High‐throughput calculation integrated with stacking ensemble machine learning for predicting elastic properties of refractory multi‐principal element alloys8Phase diagram construction and prediction method based on machine learning algorithms8High entropy alloy property predictions using a transformer-based language model27Phase formation prediction in magnetron sputtered Cu(Ti)Zn thin films: Numerical vs experimental approaches5Development of cost-effective scrap-tolerant bulk-scale high entropy alloys2A phase prediction strategy of high entropy alloys manufactured by selective laser melting based on feature selection and machine learning12Investigating the microstructural and mechanical properties of nickel-aluminide based high entropy Alloys: a combined CALPHAD-Based modeling and nanoindentation study1Investigation of the nano-mechanical properties of pulse electric sintered TiAl-based high entropy alloys by CALPHAD-based simulation and experimental studies1Tailoring Mechanical Properties of Al-Cr-Cu-Fe-Mn-Ni Complex Concentrated Alloys Prepared Using Pressureless Sintering1High-entropy alloys (HEAs) for hydrogen storage applications0Other metal alloys and intermetallics for hydrogen storage applications0AI Design for High Entropy Alloys: Progress, Challenges and Future Prospects16Machine learning-based prediction of high-entropy alloys for hydrogen storage with optimized thermodynamic and kinetic parameters17Machine learning potentials for alloys: a detailed workflow to predict phase diagrams and benchmark accuracy10Stability and Thermodynamic Properties of High-Entropy TiNbZrHfTa Alloy Films1A Mini Review on Evolution of High‐Entropy Alloy Design: From Experimental Approaches to Machine Learning Integration4Additive manufacturing of refractory materials: Perspective, prospective, and challenges – Review7Alloy Design Strategies for High-Entropy Alloys (HEAs)0C14-Laves phase high entropy alloys for hydrogen storage: a review16High entropy alloys: a brief overview on the synthesis routes and influence on process parameters0History of High Entropy Alloys1Structural materials in Frontiers in Materials, 10 years on0Research progress on BCC solid solution type high entropy hydrogen storage alloys4A Comprehensive Review of the Computational Approaches for Structure–Property Prediction of High Entropy Materials0High‐Throughput Magnetron‐Sputtered Compositionally Graded TiZrNbMoAl Nitride Coatings with Enhanced Tribological Performance0High-throughput calculations to develop high-entropy alloys for hydrogen storage applications7Recycling-driven processing pathways for high entropy alloys: Towards sustainable materials design and manufacturing2Data-driven and intelligent design of high-entropy alloys: A review of machine learning across composition, microstructure, and properties0Metal hydride hydrogen storage and thermal management at room temperatures1Uncovering High-Dimensional Phase Diagram Through the Mixture of Experts Approach and Machine Learning0High performance yet cost effective structural high-entropy alloys: a review0High-entropy alloy catalysts: from foundational thermodynamics to machine learning-enabled discovery and closed-loop optimization for electrocatalytic applications0A unified machine learning model for hardness prediction of metallic glasses and high entropy alloys0Aluminium-containing high-entropy alloys: From thermodynamic design to service performance: A critical review0FGM-derived phase and property mapping for accelerated alloy design in additively manufactured high-entropy alloys0Graph neural network-based work function prediction of high-entropy alloys for rapid evaluation of band alignment with MoS₂0

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