Defining a System in Console Mode

This section or topic is specific to Console Mode.

Define your system with as few elements (components) and phases as possible; keep the simulation as simple as possible to avoid making the simulation unsolvable.

In order to perform a simulation in the Diffusion Module, both a thermodynamic database and a kinetic database is needed. The thermodynamic database is a normal Thermo‑Calc database, whereas the kinetic database contains information about the atomic mobility of individual elements in various phases.

Database (TDB) Module Commands

  1. Open Thermo‑Calc in Console Mode. At the SYS prompt, type GOTO_MODULE DATA.
  2. Use SWITCH_DATABASE to select databases. Unless you directly specify the name of the database as a parameter to the command, the available databases are listed. Specify the one to use.
  3. Use DEFINE_ELEMENTS followed by a list of the elements that you want in your system. (To list the elements available in the current database, type LIST_DATABASE Elements.)
  4. Use REJECT with the keyword, Phases to make sure that unnecessary phases are not retrieved from the database.
  5. Use RESTORE with the keyword, Phases to restore any phases that have been excluded.
  6. Use GET_DATA to read from the database and send the thermodynamic data about your system to the GIBBS and DICTRA workspace.
  7. Use APPEND_DATABASE to select the database from which you want to retrieve kinetic data.
  8. Define your elements and specify whether to reject and restore any phases. Do this in exactly the same way as you would for the thermodynamics data (see steps 2, 3 and 4).
  9. Use GET_DATA to read from the database and add the kinetic data to the thermodynamic data that already exists in the GIBBS and DICTRA module workspace.
  10. Use APPEND_DATABASE again to add thermodynamic or kinetic data from another database. When all the data needed is retrieved, you can start using the DICTRA module.