About the TCS Zr-based Alloys Database (TCZR)
The TCS Zr-based Alloys Database (TCZR) is a thermodynamic and properties database for applications to zirconium-based alloys.
The database can be used to predict stable and metastable phase equilibria (α/β transus temperature, evolution of phase fractions vs. temperature, and so on) and thermophysical properties (density, coefficients of thermal expansion, and so on) for a wide range of multicomponent alloys of industrial relevance, with light impurities (O and H) taken into account. Through such calculations, the database can be used to accelerate the design of new zirconium based alloys as well as improve understanding of their processing and in-service behavior.
In addition to thermodynamic data, it has thermophysical properties data available for:
- Molar volume and thermal expansivity of all solid phases and liquid
- Viscosity of liquid
- Surface tension of liquid
TCZR1 Thermophysical Properties
Interconnectivity to Other Products
The database can be used nearly with our entire suite of products: Thermo-Calc, the Add-on Diffusion Module (DICTRA) and Precipitation Module (TC-PRISMA), and all available SDKs. It is not compatible with the Additive Manufacturing (AM) Module.
The thermodynamic database is compatible with the corresponding mobility database TCS Zr-alloys Mobility Database (MOBZR) that provides kinetic data for those working with the add-on kinetic modules – the Diffusion Module (DICTRA) and the Precipitation Module (TC-PRISMA) – as well as a few specific calculation types, such as Scheil with back diffusion. The current version of the mobility database is MOBZR1.
Use Case Examples
The database can be used:
- Calculating phase diagrams and thermodynamic properties of assessed systems, but also for predicting phase equilibria and simulating solidification processes for a wide range of zirconium alloys of industrial relevance, including but not limited to nuclear-grade zirconium alloys and experimental zirconium alloys under development.
- To enable predictions (such as multicomponent phase equilibria calculations, equilibrium solidification simulation and Scheil solidification simulations) to be made for multicomponent systems and alloys of industrial importance. You can also extrapolate to higher-order systems by combining several critically assessed systems.
With the addition of Add-on Modules you can also do more advanced calculations such as:
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With the Diffusion Module (DICTRA), calculate and simulate various diffusivities in liquid, α, and β phases.
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With the Precipitation Module (TC-PRISMA), calculate and simulate concurrent nucleation, growth, and coarsening of precipitates in Zr-based alloys.
Combining Databases
It is possible to combine several databases to make calculations using Thermo‑Calc. For more information related to a specific type of problem, contact one of our support specialists at info@thermocalc.com. The experts are available to make recommendations on the most suitable database to use for your needs.