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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 Thermodynamic Modeling: Extreme Challenges, Emerging Opportunities
Author(s) Wei Xiong
On-Site Speaker (Planned) Wei Xiong
Abstract Scope CALPHAD-based computational thermodynamic modeling has revolutionized materials design. However, extreme environments, such as those encountered in additive manufacturing and high-temperature applications, pose unique challenges. This presentation explores these challenges through two case studies: (1) vaporization modeling for beam-based additive manufacturing and high-temperature oxidation, and (2) modeling of high-temperature ceramic systems. We highlight current limitations, including data scarcity and complex multi-physics phenomena, and discuss the need for high-throughput modeling approaches. Finally, ongoing efforts to address these challenges and advance CALPHAD modeling for extreme environments are presented.
Proceedings Inclusion? Planned:
Keywords Additive Manufacturing, Computational Materials Science & Engineering, High-Temperature Materials

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
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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