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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Advances in Multi-Principal Elements Alloys X: Structures and Modeling
Presentation Title Phase Field Modelling of Transformation Pathways and Microstructural Evolution in Multi-principal Element Alloys (MPEAs)
Author(s) Kamalnath Kadirvel, Zachary Kloenne, Jacob K Jensen, Shalini Roy Koneru, Hamish Fraser, Yunzhi Wang
On-Site Speaker (Planned) Kamalnath Kadirvel
Abstract Scope The refractory MPEA, AlMo0.5NbTa0.5TiZr, exhibits an interesting microstructure with ordered B2 phase being the matrix and a disordered bcc phase being the precipitate, unlike the conventional Ni-based superalloys where the ordered phase is the precipitate and the disordered phase is the matrix. It is crucial to understand the phase transformation pathways (PTPs) in these alloys in order to tailor the microstructure for specific engineering applications. In this work, we systematically investigated the possible PTPs in B2/bcc MPEAs through phase-field modelling. Our phase-field model (PFM) incorporates the phase-transformation processess such as order-disorder transitions, precipitation and spinodal decomposition. We studied the effects of volume fraction of individual phases, lattice misfit between the phases, modulus mismatch between the phases and the free energies of the individual phases on the microstructural evolution of these MPEAs. Our parameteric study can help in designing the alloy composition and heat-treatment schedule for tuning the microstructural features.
Proceedings Inclusion? Planned: TMS Journal: Metallurgical and Materials Transactions
Keywords High-Entropy Alloys, Modeling and Simulation, Phase Transformations


A-12: KMC Modeling of Screw Dislocation Strength in Equiatomic bcc Refractory Alloys
A-13: Phase Transition Zones in Compositionally Complex Alloy Films
A High-throughput Investigation of Microstructure-property Relationships in NbVZr
A Method to Predict Fluctuations in the Fault Energy Landscape of FCC Solid Solutions
Atomistic Modeling of Diffusive High Temperature Plasticity in BCC Refractory-based MPEAs
Atomistic Modeling of Vacancy Concentration and Tracer Diffusion in Ni-CoCrFeMn Alloys
Atomistic Simulations of Mechanical Responses and Defect Activities in B2 Low-to-high-entropy Intermetallic Compounds
Beyond Configurational Entropy: A Harmonic Multi-principal Elements Alloy
Characterization of High-entropy Titanate Pyrochlore Oxide Single Crystals
Chemical Randomness and Lattice Distortions in Multi-principal Elements Alloys: Advances in Characterization
Combination of High Throughput Experiments and ICME Approaches to Discover the Composition Space for Lightweight High Entropy Alloys
Computational Study of Thermodynamic and Thermoelectric Properties of Al-Co-Cr-Fe-Ni and Al-Cu-Fe-Mn-Ni High-entropy Alloys
Controlling Short-range Ordering to Simultaneously Enhance Strength and Ductility of High-entropy Alloys
Critical Shear Stress Distributions and Dislocation Mobility in FeNiCrCoCu High Entropy Alloys via Atomistic Simulations
Data-driven Discovery of High-entropy Alloys
Developing Interatomic Potentials for High Entropy Alloys
Development of Novel Refractory High-entropy Alloys via High-throughput Alloy-design Approach
Dislocation Motions in Refractory Multi-principal Alloys and Effects of Chemical Order and Disorder
Effective Atomic Size in Multi-principal Element Alloys
Effects of Short-range Order on Thermodynamic Properties of AlxCoCrFeNi High-entropy Alloys
Electron Diffraction-based Studies of Ordering and Mechanical Behavior in FCC and BCC Multi-principal Element Alloys
Energy Landscape of Deformation Twinning in Multi-principal Elements bcc Alloys
Expediting the Materials Discovery Process of MPEAs through Efficient Coupling of High-throughput Density Functional Theory, Molecular Dynamics and Machine Learning Techniques
Experimental, Theoretical, and Numerical Study for Dynamic Strain Aging in HfNbTaTiZr High-entropy Alloys
Exploration of Refractory Complex Concentrated Alloys through the Use of High-throughput Calculations and Experimentation
Factors Affecting Stacking Fault Energy in Concentrated Alloys Using Density Functional Theory and Machine Learning
First-principles-based High-throughput Prediction of the Phase Stability of Refractory Complex Concentrated Alloys
First-principles Exploration of Diffusion Activation Energy in CoCrNi and CoCrFeNiMn High-entropy Alloys, with Comparison to Creep Activation Energy
First-principles Study of Quaternary High Entropy Alloys Consisting of Fe-Ni-Co-Cr-Mn/Pd
High-throughput Ion Irradiation and Microstructural Characterization of Multi-principal-element Alloys
High-throughput Mapping and Screening of Refractory High Entropy Alloy Property Space
High Thermal Stability B2 Precipitates in a Ru-containing Multi-principal Element Alloy
In-situ 4D-STEM Imaging of the Synergistic Deformation Mechanisms Responsible for the Fracture Resistance in CrCoNi
Interactions between a Dislocation and a Twin Boundary/HCP Lamella and Their Temperature Dependence in Ni-based Equiatomic Alloys
Interplay between Dislocations and Correlated Stress Environment in Random Alloys
Jerky Dislocation Motion in Multi-principal Element Alloys: From Atomic Peierls Stress to Dislocation Mobility
Local Configuration Effects on Vibrational Properties of BCC MPEAs
Machine Learning Enabled Defect Energies Prediction in Concentrated Alloys
Machine Learning Guided Descriptor Selection for Predicting Corrosion Resistance in Multi-principal Element Alloys (MPEAs)
Magnetism in Metastable and Annealed HEAs of (FeNiCrMn)
Mechanical Properties and Deformation Behavior of a Refractory Multiprincipal Element Alloy under Cyclic Loading
Melting Temperature Prediction of Multi-principal Elements Alloys Using Ab-initio Calculations
Metastability and Phase Selection in High Entropy Alloys
Microstructural Inversion Accompanied by B2 to hP18 Phase Transformation in a BCC Based Refractory Complex Concentrated Alloy
Microstructure and Mechanical Properties of Medium-entropy Alloys with High-density Nano Precipitates
Mixing and Diffusion at Internal Interfaces in High Entropy Alloys
Modeling the Effect of Stress and Composition on the Stability of Lomer/Lomer-Cottrell Dislocations
Multiscale Dynamics of the Oxide Scale in High-entropy Alloys
Multiscale Modeling and Design of High Entropy Alloys
Novel Co-free Multi Principal Element Alloys (MPEAs) for Nuclear Applications: Computational Design and Experimental Evaluation
NOW ON-DEMAND ONLY - Design of High Temperature RCCAs Using Ordered Thermally Stable Structures
NOW ON-DEMAND ONLY - Theory of Yield Strength in BCC High Entropy Alloys
Phase Field Modelling of Transformation Pathways and Microstructural Evolution in Multi-principal Element Alloys (MPEAs)
Predicting Fundamental Properties of Refractory Multicomponent Alloys Using Electronic Descriptors and Statistical Learning
Simulations of Deformation and Fracture in Multi-principal Element Alloys
Size Effects in a Dual Phase High Entropy Alloy
Slip Localization in the Refractory High Entropy Alloy HfNbTaTiZr at Room Temperature
TEM Study of a Refractory Complex Concentrated Alloy with BCC/B2 Microstructure
The Impact of Short-range Order on Atomic Diffusions in Multi-principal Elements Alloys
Transformation Behavior and Superelasticity of TiZrHfNiCoCu Multi-component High-temperature Shape Memory Alloys
Understanding Chemical Short-range Ordering/Demixing Coupled with Lattice Distortion in Solid Solution High Entropy Alloy
Vacancy Defects: Formation Energy and Migration Paths in Multi-principal-element Alloys (MPEAs)

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