Calculating Several Properties in the Same Diagram

There are many ways to calculate property diagrams in Thermo‑Calc. The following is another example. If you perform several stepping calculations after each other, the results of these calculations are all saved in your workspace file. This allows you to the following:

• Calculate (and then plot) missing parts of a specific property inside the first property diagram. These parts are calculated inside the range of the stepping variable with a different control condition.
• Calculate (and then plot) two or more sets of a specific property on the same property diagram for the same system. These can be calculated under different control conditions with stepping operations being performed across the same stepping axis variable range.
• Calculate phase boundary lines and then plot them in a corresponding phase diagram for the same system. This can be especially useful for some defined secondary phase-transformations. For example, if you want to find the phase boundary between BCC_A1 and BCC_B2, or the equal-Gm for two specific phases, or the equal-fraction or equal-activity for two specific phases of a certain species, then this can be useful.

Unless you have opened a new workspace file previously using SAVE_WORKSPACES , the results of the stepping calculations are saved in a RESULT.POLY3 file. To save the results of several stepping calculations in a file different from the workspace file that your results are currently saved to, then use SAVE_WORKSPACES before you perform the first stepping calculation.

SAVE_WORKSPACES overwrites and deletes the results of all previous stepping calculations.

A reminder that Linux and Mac are case sensitive; when applicable ensure you enter file extensions with capital letters.