ThermoCalc

Thermo-Calc is a commercial software package for CALPHAD-based thermodynamic calculations used to model phase equilibria in multi-component systems. It provides an environment for constructing, querying, and applying thermodynamic databases to predict phase stability and other thermophysical properties of materials.

At its core, Thermo-Calc uses CALPHAD assessments to minimize Gibbs free energy under specified conditions of temperature, composition, and pressure, yielding stable phase assemblages, phase fractions, and phase compositions. It supports multi-component calculations essential for alloy design and process modeling.

The software relies on curated thermodynamic databases that encode assessed thermodynamic parameters for elements and compounds. Users can access, edit, extend, and validate data, and can combine databases to represent complex alloy systems.

In addition to equilibrium calculations, Thermo-Calc can be extended with modules and companion tools for kinetic and diffusion analyses, such as precipitation and diffusion simulations, and to interface with other simulation environments. The package includes scripting and automation capabilities to integrate into broader workflows.

Thermo-Calc is widely used in academia and industry, particularly in metallurgy, materials science, and engineering, for designing high-temperature alloys, steels, and other multi-component materials. It is a proprietary product requiring a licensed purchase, with ongoing updates and database expansions.