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Meeting MS&T23: Materials Science & Technology
Symposium Computational Discovery, Understanding, and Design of Multi-principal Element Materials
Presentation Title Microstructural Engineering via Heat Treatments in Multi-principal Element Alloy Systems with Miscibility Gaps
Author(s) Shalini Roy Koneru, Kamal Kadirvel, Zachary Kleonne, Hamish Fraser, Yunzhi Wang
On-Site Speaker (Planned) Shalini Roy Koneru
Abstract Scope The occurrence of multi-phase microstructures in multi-principal element alloys (MPEAs) highlights the significant role of enthalpic contributions in phase equilibria. For instance, recent studies suggest that the experimentally observed multi-phase microstructural evolution in AlMo0.5NbTa0.5TiZr, Al0.5NbTa0.8Ti1.5V0.2Zr, TiZrNbTa, AlCoCrFeNi and Fe15Co15Ni20Mn20Cu30 can be attributed to their miscibility gaps. Thus, through high-throughput CALPHAD calculations and phase-field simulations, we investigate systematically how different heat treatment schedules such as single-step isothermal aging, two-step isothermal aging and continuous cooling could alter microstructural evolution in systems undergoing spinodal-mediated phase transformations. Our results show that continuous cooling could invert the microstructural topology (i.e., which phase forms the continuous matrix and which phase forms discrete precipitates) in the same MPEA having an asymmetric miscibility gap, while two-step isothermal aging can produce a rich variety of novel hierarchical and graded microstructures. These findings suggest that it is possible to engineer novel microstructures in MPEAs with tailored properties.


A New Modified Embedded Atom Method Potential to Understand Plasticity in VNbTaTiZr High Entropy Alloy
Ab-Initio Investigation of Jahn-Teller Distortions within High Entropy Oxide Systems Using Recently Developed Meta-GGA Functionals
Charge-Density based Convolutional Neural Networks for Property Prediction in High Entropy Alloys
Computational Microstructural Design for Multi-phase Multi-principal Element Alloys
Computational Studies of Deformation Twinning in BCC Complex Concentrated Alloys
Critical Shear Stress Distribution and Average Dislocation Mobility in FeNiCrCoCu High Entropy Alloys Computed via Atomistic Simulations
Effect of Elasticity in Microstructural Evolution of Multi-component, Multi-phase System
Effects of Chemical Short-range Order in Medium Entropy Alloy CoCrNi
First-principles Study for Discovery of High-entropy MXenes
Hybrid Machine Learning Approach for Designing Refractory High Entropy Alloys
Microstructural Engineering via Heat Treatments in Multi-principal Element Alloy Systems with Miscibility Gaps
Modelling and Simulation on Mechanical Behavior of High-entropy Alloys
Phase Field Simulation of AgCuNi Ternary Alloy: Exploring Ag-CuNi Precipitation and Immiscibility
Predicting Ideal Shear Strength of Dilute Multicomponent Ni-based Alloys by an Integrated First-principles, CALPAHD, and Correlation Analysis
The Elastic Properties and Stacking Fault Energy of FeNiMoW
Yield Strength-Plasticity Trade-off and Uncertainty Quantification in ML-based Design of Refractory High-entropy Alloys

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