Console Mode Workflow

Working with Thermo‑Calc involves moving between different modules. The workflow differs depending on the type of calculation:

  • If you want to perform a calculation using the POLY module, you typically first retrieve thermodynamic data in the DATA module, perform the calculation in POLY, and visualize the results in the POST module. It is possible to define a system directly in POLY using the DEFINE_MATERIAL and DEFINE_DIAGRAM commands.
  • If you want to calculate and plot a diagram using a response-driven module, such as POTENTIAL or SCHEIL, then you can go directly to that module. Response-driven modules prompt you to go through the steps to do the calculation and the required post-processing. These modules include BIN, TERN, POTENTIAL, POURBAIX, and SCHEIL. You typically end up in the POST module after having used a response-driven module. In the POST module you can modify the plots and save the diagram.
  • If you want to tabulate a chemical substance, phase, or reaction, go directly to the TAB module.

The basic workflow is:

  1. You are in the SYS module when you start Thermo‑Calc in Console Mode.
  2. In the DATA module define the system. Before performing a calculation, you must define the system and retrieve thermodynamic data. The data is retrieved from a database file (*.TDB or *.TDC).
  3. The data needed to describe a system is then sent to the GIBBS module. This data is accessed by the POLY module when you instruct it to perform calculations.
  4. In the POLY module, perform the calculations.
    • In POLY, the conditions are set for an equilibrium calculation (temperature, pressure, system composition, etc.), then an equilibrium calculation is done.
    • If you want to make a property or phase diagram, you set the conditions for a stepping or mapping operation and perform that operation.
    • This generates data that can be used to plot a property diagram (if a stepping operation is performed) or a phase diagram (if a mapping operation is performed).
  5. In the POST module plot and visualize your data.
    • If a stepping or mapping operation is performed, then you can go to the POST module and plot a property or phase diagram.
    • The diagram can be plotted quickly using default settings, but you can also modify which variables to plot of the diagram axes and change the appearance of the diagram.
    • You can save the diagram either as a plain text file with data about all the coordinates or as an image file.