Thermo-Calc is a powerful and flexible software package based upon a powerful Gibbs Energy Minimizer and developed for performing various kinds of thermodynamic and phase diagram calculations. It handles complex problems involving the interaction of many elements and phases and is specially designed for systems and phases that exhibit highly non-ideal behavior.
Thermo-Calc is the only software capable of calculating arbitrary phase diagram sections with up to five independent variables in a complex multicomponent and heterogeneous system.
History of Thermo-Calc
Thermo-Calc was developed in 1981 and has gained a world-wide reputation for calculating phase diagrams. This software can calculate arbitrary phase diagram sections and property diagrams in multicomponent systems. Also, there are facilities available to calculate many other types of diagrams. Examples include CVD depositions, Scheil-Gulliver solidification simulations, partial pressures in gases, Pourbaix diagrams, etc.
Applications of Thermo-Calc
Thermo-Calc has been developed for thermodynamic and phase diagram calculations in the fields of metallurgy, material science, alloy development, chemistry, geochemistry, semiconductors, energy conversation, power production, etc. The software specializes in calculations for multicomponent systems. Thermo-Calc provides better understanding of the factors that affect material behavior and helps reduce costs by quickly identifying control parameters or alloy compositions.
Structure of Thermo-Calc
Thermo-Calc consists of the following seven interconnected basic modules:
(1) TDB for database retrieval and management
(2) GES for thermodynamic handling of models and data
(3) TAB for tabulations of thermodynamic properties
(4) POLY for multicomponent heterogeneous equilibrium calculations
(5) POST for processing of various phase diagrams
(6) PARROT for parameter optimizations, and
(7) ED_EXP for editing of experimental points.
The POST module is a sub-module of the POLY module, and ED_EXP is a sub-module of the PARROT module.
In addition, Thermo-Calc currently has six highly specialized modules, developed for very specific types of calculations and numerical simulations:
(1) BIN for binary phase diagram calculations
(2) TERN for ternary phase diagram calculations
(3) POT for potential diagram calculations
(4) POURBAIX for Pourbaix diagram calculations
(5) SCHEIL for Scheil-Gulliver solidification simulations, and
(6) REACTOR for steady-state reaction simulations.
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