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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Thermodynamics and Phase Diagrams Applied to Materials Design and Processing: An FMD/SMD Symposium Honoring Rainer Schmid-Fetzer
Presentation Title Computational microstructural engineering for multi-phase HEAs
Author(s) Shiddhartha Ramprakash, Shalini Roy Koneru, Paraic O'Kelly, Brian Welk, Gopal Babu Viswanathan, Hamish Fraser, Yunzhi Wang
On-Site Speaker (Planned) Yunzhi Wang
Abstract Scope Most HEAs are multiphase at equilibrium. Even though some HEAs could be single-phase solid solutions at elevated temperatures, they are extremely weak during deformation such as creep. Thus, high-temperature applications require multiphase HEAs. FCC multiphase HEAs can't compete with Ni-base superalloys, and BCC multiphase HEAs are too brittle, with limited tensile data available. However, HEAs offer a vast and relatively unexplored compositional space near phase diagram centers, where diverse transformation pathways can be used to engineer new microstructures. Navigating this space experimentally is challenging. Our approach aims to develop microstructurally engineered multiphase refractory HEAs (RHEAs) by understanding composition, transformation pathways, and multiphase microstructures. Using high-throughput CALPHAD thermodynamic modeling, phase-field simulations, and experimental efforts, we identify critical alloy and processing parameters affecting microstructure development and create microstructure maps to guide experiments. Our results show a rich variety of novel two-phase microstructures can be engineered in RHEAs, potentially enhancing their mechanical properties.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, High-Entropy Alloys, Phase Transformations

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A generalized approach for rapid entropy calculation of liquids and solids
A thermodynamic evaluation of the U-Zr-N system
Application of the CALPHAD Method to Alloy Design and Processing Optimization
CALPHAD-assisted process optimization for free-cutting steels
CALPHAD Modeling of Electrons and Holes in Compound Semiconductors
Compositional screening of secondary aluminum alloys by combining CALPHAD and phase field simulations
Computational microstructural engineering for multi-phase HEAs
Designing lightweight alloys based on CALPHAD modeling and machine learning
Essentiality of impurity (dilute) diffusion coefficients in establishing reliable diffusion and atomic mobility databases
Evolution of the Calphad method and its application
High temperature thermodynamics for the development of low CO2 building materials
Hillert-style irreversible thermodynamics and the entropy production
Inputs from computational thermodynamics for grain size prediction and alloy design
Investigation Fe-Mg phase equilibria under High Temperature and High Pressure conditions
Kinetics of Solid State Transformations involving Intermetallic Phases
Microstructure design for precipitation-hardened aluminium and magnesium alloys
Miscibility gaps in multicomponent systems
On Gibbs Equilibrium and Hillert Nonequilibrium Thermodynamics and CALPHAD Modeling
On the development of the next generation of thermodynamic models of metallic solid solutions.
Phase Diagram and Barycentric Coordinate System
Phase Stability through Machine Learning
Predicting electrical resistivity and thermal conductivity of multicomponent multiphase alloys
Prediction of as cast microstructure by solidification model coupled with CALPHAD database: Conventional casting and Additive manufacturing process
The Application of Phase Diagram in Materials Science and Engineering
Thermodynamic Modeling of Hydrogen in the LiF-BeF2-BeO System for MSR Applications
Thermodynamic Modeling: Extreme Challenges, Emerging Opportunities
Thermodynamic models from ab initio insights
Thermodynamics and Phase Diagrams Applied to Materials Design and Processing
Utilizing Computational thermodynamics to design phase transformation, strength, and ductility of HEAs
Utilizing synchrotron radiation for phase identification in Mg alloys

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