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Meeting 2nd World Congress on High Entropy Alloys (HEA 2021)
Symposium 2nd World Congress on High Entropy Alloys (HEA 2021)
Presentation Title Investigating Oxidation of NiAl+ Hf Using Cellular Automata
Author(s) Indranil Roy, Pratik K. Ray, Ganesh Balasubramanian
On-Site Speaker (Planned) Indranil Roy
Abstract Scope Modeling oxidation of HEAs is a complex problem due to the dynamical nature of the oxidation process. Conventional techniques based on the first principle and thermodynamic analysis focuses on some of the particular aspects of the process but fail to model the overall phenomenon. We developed a stochastic cellular automata approach to model oxidation of NiAl and NiAl+Hf at high temperatures. The probability of reaction and diffusion is obtained from the relative reaction and diffusion rate of each component. We successfully analyzed oxide scale morphology, thickness, specific mass gain, and stress-strain field during the temporal evolution of the oxide scale. The majority of the oxide formed during oxidation of NiAl is composed of Alumina while the addition of “reactive element” Hf in the grain boundary slows the oxidation kinetics drastically. We have also prepared a simplified model to calculate stress-strain during transient oxidation based on Pilling-Bedworth ratios of the oxides.
Proceedings Inclusion? Undecided

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

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A High-throughput Strategy to Study Phase Stability and Mechanical Properties in Complex Concentrated Alloys
A Low-density Non-equiatomic AlSiCrMnFeNiCu High Entropy Alloy Strengthened with In-situ Precipitation of Cr5Si3
A Materials Informatics Approach to High Entropy Alloy Design
Ab Initio Study of the Phase Stability and Transition-induced Plasticity of Body-centered Cubic Refractory High-entropy Alloys
Accelerated Development of Refractory Multi-principal Element Alloys via Machine Learning
Advanced Characterization of High-temperature Oxide Evolution in NbTiZr
Applying Physical Metallurgy Principles to Multi-principal Element Alloys
Atomic Simulations of FeCoCrMnSi High Entropy Alloys
Atomistic Simulations of Deformation Response in High Entropy Alloys
Atomistic Simulations of the Local Slip Resistances in Four Refractory Multi-principal Element Alloys
Boron Addition in a Non-equiatomic Fe50Mn30Co10Cr10 Alloy Manufactured by Laser Cladding: Microstructure and Wear Abrasive Resistance
Building Data-driven Models with Noisy Input Features- Application: Strength Prediction of High Entropy Alloys
CALPHAD Database Development and Optimization of Refractory-HEAs
Characteristics of Slip Localization in the HfNbTaTiZr Refractory High Entropy Alloy
Cluster Expansion Approach to Sigma Phase Site Occupancy and Stability in Compositionally Complex Stainless Steel Alloys
Cold Spray of Medium and High Entropy VCoNi, CrCoNi and CrCoFeMnNi Coatings: Effects of Topical Oxides
Combinatorial Thin Film Screening of Non-equiatomic Refractory High Entropy Alloy
Computational Design of a Lightweight and Ductile Refractory Alloy
Computational Framework for Discovering High Entropy Alloy with Improved Properties
Computing Thermodynamic Properties for Reduced Activation High Entropy Alloys
Cores of 1/2<110>-type Dislocations in the CrMnFeCoNi High-entropy Alloy Investigated by STEM, the Center of Symmetry and the Nye Tensor Mapping Techniques
Corrosion and Passivation of Multi-principal Element Alloys in Aqueous Solutions
Cross-kinks Control Screw Dislocation Strength in Equiatomic bcc Refractory Alloys
Data-driven Design of Refractory High-entropy Alloys
Defining Pathways for Realizing the Revolutionary Potential of High Entropy Alloys: A Science & Technology Accelerator Study
Deformable Plastic Strain-induced Epsilon-martensite in Medium-entropy Alloys: A Pathway towards Multi-stage Metastability Engineering
Demonstration of Latin Hyper Cube as a Tool for the Design of Experiment of Laser Additive Manufacturing for MPEAs
Dense, Fine-grained Refractory Metal Alloys via a Low-temperature, Chemical-reaction-based Powder Metallurgical Process
Design of HEAs for Additive Manufacturing Using High-throughput Methods
Design of Low Cost Compositionally Complex Alloys (CCAs) with Excellent Corrosion Resistance
Design of Silicide Strengthening Refractory High-entropy Alloys
Designing High-entropy Intermetallic Alloys: Refractory B2 Phases
Determination of Transformation Pathways and Microstructural Evolution in Multi-principal Element Alloys using Coupled Materials Characterization and Phase Field Modeling
Development of Powder Metallurgy High-entropy Alloys by Using Superalloys Commercial Commodity Powders
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Disorder-driven Biasing of Deformation Tendencies in Concentrated FCC Solid Solutions
Dissimilar Laser Welding of High Entropy Alloys
Early Investigation of Hybrid Approaches to Joint Optimization for Accelerating the Design of Refractory High Entropy Alloys
Effect of Cooling Rate on the Crystallization Temperatures and Lattice Distortion of AlCoCrFeNi MPEA
Effect of Dose Rate on the Irradiation Responses of CrFeNi-based Multi-principal Element Alloys (MPEAs)
Effect of Grain Refinement on the Mechanical Behavior of the Cr40Co40Ni20 Medium-entropy Alloy
Effect of Grain Size on the Low-cycle Fatigue Behavior of CoCrNiFeMn High Entropy Alloy
Effect of Short-range Ordering on the Plastic Deformation of NiCoCr Medium Entropy Alloy
Electron Diffraction-based Analysis of the Role of Chemical Short-range Order on the Dynamic Deformation Response of FCC and BCC Multi-principal Element Alloys
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Entropy-driven Melting Point Depression in HEAs
Exploring Phase Equilibria, Strength and Deformation Mechanisms of Non-equiatomic CrCoNi Compositions
Fabrication and Characterization of Nanoporous Multi Principal Element Alloy Thin Films by Vacuum Thermal Dealloying
Feature Selection and Interpretation for Machine Learning Models: Reducing the Dimensionality of Complex Concentrated Alloys
First-principles Investigation into Ductility of High Entropy B2-like Alloys
Guidelines for Beneficial Short-range Ordering: Composition-dependent Plasticity Effects
High-pressure Induced Phase Transitions of a Metastable Complex Concentrated Alloy System with Varying Stacking Fault Energies
High-throughput and Machine Learning Accelerated Discovery of Corrosion-resistant Alloy for Molten Salt Applications
High-throughput Approach for Exploration of FCC High Entropy Alloys Based on Deformation Pathways
High-throughput Calculations and Experimentation for the Discovery of Refractory Complex Concentrated Alloys
High-throughput Characterization and Testing of MoNbTaW Multi-principal Element Alloy for Combinatorial Analysis
High-throughput First-principles Design and Screening of Additively Manufactured Corrosion-resistant HEA
High-throughput Oxidation of Additively Manufactured Refractory High Entropy Alloys
High-throughput, High-temperature Heavy Ion Irradiation of Annealed CrFeMnNi Magnetron-sputtered Combinatorial Thin Film
High Throughput Design and Testing of Multi-principal Element Alloys (MPEAs) for Corrosion and Oxidation Resistance: Successes and Pitfalls
High Throughput Study of Hardening and Void Swelling in Ion Irradiated High Entropy Alloys
Investigating Oxidation of NiAl+ Hf Using Cellular Automata
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Machine Learning-assisted Phase Prediction for High Entropy Alloys and Feature Analysis
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NOW ON DEMAND: In-situ X-ray and Thermal Imaging of Refractory High Entropy Alloying during Laser Directed Deposition
NOW ON DEMAND: Recent Advances, Hardening, Softening and Ductility in High Entropy Brasses and Bronzes
NOW TUESDAY 2 PM: Investigating the Internal Oxidation of High Entropy Alloy
ON DEMAND: An Experimental Study of the Effects of Deviations from AlCoCrFeNi Alloy Composition and Heat Treatment on the Microstructure, Phase Stability and Properties of Cast High Entropy Alloys
ON DEMAND: Computational Design of Co-free Complex Concentrated Alloys (CCA) for Nuclear Applications
ON DEMAND: Computationally Guided High Entropy Alloy Discovery
ON DEMAND: Deformation Behaviors in Refractory High-entropy Alloys
ON DEMAND: Density Functional Theory Study of Short-range Order in Bulk, Grain Boundary, Stacking Fault, and Surface of CrMnFeCoNi Alloy
ON DEMAND: Designing New Corrosion Resistant Materials with Exceptional Strength-ductility Synergy and Good Weldability Using High Entropy Approach
ON DEMAND: Developing High Entropy Alloys for Advanced Nuclear Applications
ON DEMAND: Development of an Interatomic Potential for the FeNiCrMn System: Dislocation Properties
ON DEMAND: Effect of Crystal Orientation on Creep Deformation Behavior of a Single Crystal High Entropy Superalloy
ON DEMAND: Efficient Prediction of the Yield Strength of BCC High Entropy Alloys
ON DEMAND: Experimental Determination of Interdiffusion and Defect Kinetics in Multicomponent Systems
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ON DEMAND: High-throughput Screening of Structural High Entropy Alloys Using a Machine Learning Approach
ON DEMAND: Influence of HEA Composition on High Temperature Performance
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ON DEMAND: Lattice Distortion and Its Effect on Strength in Refractory High-entropy Alloys
ON DEMAND: Mechanical Properties of High Entropy Single Crystal Superalloys at Elevated Temperatures
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ON DEMAND: Refractory Metals-based High Entropy Alloys: Phase Evolution and Radiation Damage Studies
ON DEMAND: Short-range Order Influence on the Quality of Interatomic Potential Built Using Machine Learning Technique for High Entropy Alloys
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ON DEMAND: Superior High-temperature Strength in a Refractory High-entropy Alloy
ON DEMAND: Synergistic Studies on the Effects of Cr Contents on Phases and Mechanical Properties of CuNiTiFeCr HEAs
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One Order of Magnitude Improvement of the Magnetocaloric Effect of Rare-earth-free High-entropy Alloys
Ostwald Ripening in High Entropy Alloys
Phase Field Modeling of Transformation Pathways in Multi-phase HEAs
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Precipitation and Strengthening in AlCoCrFeNi High Entropy Alloys
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The Interplay between Phase Transformation and Mechanical Properties in High Entropy Alloys
Theoretical Predictions of Short-range Order in High Entropy Alloys
Thermodynamic and Mechanical Properties Prediction within the Cr-Fe-Mn-Ni Alloy System
Thermomechanical Processing of a CrMnFeCoNi by Cold Rolling and Annealing
Tuning Chemical Ordering in the Concentrated Solid Solution of High Entropy Alloys
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