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Meeting 2026 TMS Annual Meeting & Exhibition
Symposium Thermodynamics and Kinetics of Alloys IV
Presentation Title Advances in CALPHAD Modeling of Thermodynamics and Other Properties
Author(s) Ursula R. Kattner, Zhi Liang, Júlio César Pereira dos Santos
On-Site Speaker (Planned) Ursula R. Kattner
Abstract Scope Since its introduction more than 50 years ago the CALPHAD method has established itself as a pillar for materials and process design as it is currently the only available method for the calculation of multi-component, multi-phase equilibria and properties. The method has continued to evolve by improving model descriptions to better reflect the underlying physics or expanding the properties being described. Efforts are underway to develop new descriptions that overcome the current low temperature limit for CALPHAD modeling, as well as to explore alternatives to the traditional modeling of the composition dependence in the description of ordered phases. The CALPHAD method has also been expanded beyond modeling of thermodynamics and diffusion mobility to include many other phase-based thermophysical properties, such as molar volume, thermal conductivity and electrical resistivity, viscosity and surface tension of liquids. Recent developments in thermodynamic and property models will be discussed.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Modeling and Simulation, Phase Transformations

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