Thermo-Calc Software is probably best known for calculation of phase diagrams. But this is just the tip of the iceberg. In fact, a huge number of different types of calculation involving thermodynamics and diffusion-are possible.
With Thermo-Calc stable and metastable multi-component phase diagrams and liquidus projections, phase fractions in function of temperature or composition, driving force for phase transformations, Scheil solidification simulations, Pourbaix diagrams. Also martensite formation in steels and the growth kinetics of pearlite can be calculated.
With the Diffusion Module DICTRA accurate simulations of diffusion in or between multicomponent alloys with a moving phase boundary. Typical calculations are homogenization, dissolution of precipitates, diffusion-controlled growth of phases, Ostwald ripening, micro-segregation during solidification, carburization, nitriding or diffusion in a temperature gradient.
The Precipitation Module TC-PRISMA is used to calculate the concurrent nucleation, growth, dissolution and coarsening of precipitate phases in function of time. The particle morphology (sphere, needle, plate), lattice strain and different types of nucleation sites can be taken into account.
The true power of Thermo-Calc and its add-on kinetic modules lies in the comprehensive materials databases, that have been developed both in-house and through multinational scientific collaboration projects with industrial and academic partners using the well-established CALPHAD method. The databases have grown and have been improved for decades now, but they only recently reached the point of being applicable for true, real-life alloys, containing well over 10 alloying elements. Such complex systems are routinely and reliably handled with Thermo-Calc even for very high alloy contents of 30 wt% and above, where less sophisticated models based on dilute solutions simply break-down. Databases are available for many systems including steels, high entropy alloys (HEA), Ni superalloys, Al alloys, Mg alloys, Ti and TiAl alloys, precious metals, oxide and slag systems, solder and brazing alloys and many more.
Finally, all the functionality of Thermo-Calc can now be accessed through the popular Python programming language using Thermo-Calc’s API, TC-Python.
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