Simulating a Scheil Solidification Process

SCHEIL Module Commands

About the Scheil-Gulliver Solidification Simulations

Simulating a Scheil-Gulliver solidification process involves calculating the liquid composition of a higher-order multicomponent system at each step of a cooling process, and resetting the liquid composition as the composition of the entire system (after having removed all amount of solid phase).

The step-by-step instructions below are intended as a simple example of setting up a calculation using the wizard in Console Mode. You can also use the macros available and briefly described in Scheil-Gulliver Examples.

The following does not include any prompts related to using back diffusion or solute trapping. See START_WIZARD for additional details about when these options are enabled with the USE_BACK_DIFFUSION and SOLUTE_TRAPPING commands.

  1. At the prompt type goto_module scheil.
  2. Type Start-Wizard and press <Enter>.
  3. Specify which Database to use. Type ? for a list of available databases based on your license.
    • Type FEDEMO for this example.
  4. Specify the Major element or alloy in your system. For example, enter Fe (steel/Fe-alloy), Al (Al-based alloy), or Ni (Ni-based super alloy).
    • Type Fe for this example.
  5. Set whether to specify the Composition input in mass (weight) percent (the default) or in Mole percent. Press <Enter> to keep the default for mass (weight) percent or type N to use mole percent.
    • Keep the default for this example (press <Enter>).
  6. Specify the name of the 1st alloying element. You can directly specify mass or mole percent after the name. If this is not specified, then you are prompted to enter it separately.
    • Type Cr 5 for this example.
  7. Specify the other alloying elements in the same way as you specify the first.
    • Type C 1 for this example.
  8. After you have specified your last alloying element, press <Enter>. This ends the process of defining the bulk composition of the alloy system.

    You can also specify all the alloying elements and their corresponding compositions on the same line when you are prompted to specify your first alloying element. As a general example, you can enter Cr 5 Ni 1 Mo 0.5 C 0.01 N 0.02.

    • Press <Enter> for this example.
  9. Specify the starting Temperature (C) in Celsius. The default is 2000.

    This value should be sufficiently high so that the solidification simulation starts with the alloy system in the liquid single-phase region.

    • Keep the default for this example (press <Enter>).
  10. At the Reject phase(s) prompt enter the name of the phases to reject or press <Enter> for the default NONE.
    • Keep the default s for this example (press <Enter>).
  11. At the Restore phase(s) prompt you may want to restore a phase that you rejected when you ran the simulation earlier, or you may want to restore a phase that is rejected by default in your database. Enter the name of the phases to restore or press <Enter> for the default NONE.
    • Keep the default for this example (press <Enter>).
  12. When prompted OK? type N to go back to reconsider which phases to reject or restore. Type Y to continue. The thermodynamic data about the alloy system you defined is retrieved from the database.
    • Keep the default for this example (press <Enter>).
  13. At the Should any phase have a miscibility gap check prompt, press <Enter> for the default N or type Y then specify the Phase with miscibility gap.
    • For this example, type Y then enter FCC as the Phase with miscibility gap.
  14. If you answer Y to the miscibility gap check, then next enter the following for Major constituent(s) for sublattice 1 and Major constituent(s) for sublattice 2.
    • Enter Cr for sublattice 1 and C for sublattice 2 in this example. Then at the Phase with miscibility gap prompt press <Enter>. The system responds with LIQUID PHASE NAME: LIQUID.
  15. Specify the names of any Fast-diffusing components. Press <Enter> for NONE or type all the names on the same line then press <Enter>. Keep the default for this example (press <Enter>).

    After the Scheil-Gulliver solidification simulation runs, the Temperature versus Mole Fraction of Solid is plotted in the Console Results window.

    After the Scheil-Gulliver solidification simulation runs, the diagram Temperature versus Mole Fraction of Solid is plotted in the Console Results window.