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Meeting Materials Science & Technology 2020
Symposium High Entropy Materials: Concentrated Solid Solution, Intermetallics, Ceramics, Functional Materials and Beyond
Presentation Title Machine Learning and Data Analytics for Identification of HEA Compositions and Processing Conditions Resulting in Enhanced Fatigue Resistance
Author(s) Xuesong Fan, Baldur Steingrimsson, Orlando Rios, Anand Kulkarni, Duckbong Kim, Peter K. Liaw
On-Site Speaker (Planned) Peter K. Liaw
Abstract Scope This presentation outlines an innovative approach to application of machine learning and data analytics, aimed at accelerating the identification of high-entropy alloy (HEA) compositions and process conditions resulting in attractive fatigue resistance. We present general methodology for predicting the fatigue resistance of HEAs, one capable of accounting for physics-based dependencies. We show that HEAs generally exhibit fatigue resistance superior to that of conventional alloys. For a given composition, we indicate, through application of data analytics, that the fatigue resistance of HEAs seems primarily correlated with the ultimate tensile strength (UTS), followed by the defect properties, grain size, and process parameters. Hence, given the multiple sources that impact the fatigue resistance, we note that accurate prediction of the fatigue resistance requires knowledge not only of the UTS, but also of defect properties, grain size, and process conditions. We demonstrate consistency of our predictions with empirical rules and experimental findings.


Atomistic Modeling Predictions of the Structures and Properties of High Entropy Alloy Nanoparticles from Carbothermal Shock Synthesis
Atomistic Simulations Evince the Sluggish Diffusion in Refractory HEAs
Beyond Mechanical Metastability in FeMnCoCr?
Bond-order Bond Energy Model for Concentrated Solid Solutions
Chemical Defect Reactivity of A-site High-Entropy LaFeO3 and LaMnO3 Based Perovskite Oxides
Computational Techniques to Study High-entropy Materials
Computationally Guided High Entropy Alloy Discovery
Control of Discontinuous and Continuous Precipitation of Gamma-prime Strengthened High-entropy Alloys
Controllable Phase Heterogeneity in High Entropy Oxides
Corrosion Resistant Property Improvement of CoCrFeNiMoTi-based High Entropy Alloy by Optimizing Composition
Effect of Grain Size and Strain Rate on the Deformation Mechanism of Nanocrystalline HEAs Using Molecular Dynamics Simulations
Effect of Interstitial Nitrogen on the Phase Stability, Strengthening, Mechanical Behavior in TRIP-assisted High-entropy Alloys
Effect of Milling Parameters on Microstructure and Mechanical Properties of Mechanically Alloyed, Refractory High Entropy Alloy
Full “Ab-initio” Simulation of Field Evaporation of High Entropy Alloys
High-Entropy Alloy Approach to Thermoelectric Materials
High-entropy Sesquioxide Transparent Ceramics with Up-conversion Functionality
High Entropy and Sluggish Diiffusion Effects in Co-Cr-Fe-Ni Based High Entropy Alloys
Highly Tunable Mechanical and Magnetic Properties in an Al0.3CoFeNi Complex Concentrated Alloy
Introductory Comments: High Entropy Materials
Investigating Multi-principal-element Alloys (MPEAs) at Larger Scales: From Melt Processing to New Design Approaches
Lattice-distortion-enhanced-yield Strength in a Refractory High-entropy Alloy
Machine Learning and Data Analytics for Identification of HEA Compositions and Processing Conditions Resulting in Enhanced Fatigue Resistance
Magnetic Properties of High Entropy Oxides
Phase Stability of CoCrFeMnNi High Entropy Alloy at Elevated Temperature and Pressure
Phase Transformation and Kinetic Behavior of High Entropy Oxide Materials Characterized via Rapid In-situ Non-ambient X-ray Diffraction
Quantification of the Feasible High Entropy Alloy Space via Novel Alloy Search Schemes
Rapid Production of Accurate Multicomponent Embedded-Atom Method Potentials for Metal Alloys
The Department of Energy’s High Performance Materials Program and Its High Entropy Alloy R&D
The Role of Large Static Displacements in Stabilizing BCC High Entropy Alloys
The Use of CALPHAD Based Tools to Simulate Applications of HEA Materials
Thermal Stability of Refractory High Entropy Alloys at Intermediate Temperatures
Tuning of Lattice Distortion in High-entropy Oxides by High Pressure
Using alloy phase diagrams to predict formation of high-entropy alloy phases
Using Machine Learning, CALPHAD, and DFT to Accelerate Materials Development
ζ-Factor Microanalysis, a Quantitative Chemical Analysis Technique for the Characterization of High Entropy Alloys

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