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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 High temperature thermodynamics for the development of low CO2 building materials
Author(s) Alexander Pisch
On-Site Speaker (Planned) Alexander Pisch
Abstract Scope A considerable reduction of CO2 emissions in the production of building materials is mandatory to fight climate change. To reach this goal, CO2 must be limited in the production of clinker, the active component in any type of cement. Potential levers are the clinker chemistry (raw materials, chemical composition) and the process conditions (burning temperature, fuels). Multicomponent phase diagrams and thermodynamic equilibrium calculations using a reliable Gibbs energy database are fundamental tools to reach this goal. They form the basis for the development of models to predict the clinker chemistry from the chemical composition and to model the full clinkering process including heat and mass transfer. In this contribution, we will highlight some key thermodynamic results and discuss their impact on the reduction of the specific embodied CO2 in the final cement and concrete.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, High-Temperature Materials, Environmental Effects

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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