PARROT and EDIT_EXPERIMENT Examples

The example is divided into parts corresponding to the files in the tcex36a folder. It is recommended you open tcex.36.readme before continuing with this advanced exercise.

Also see the Data Optimization User Guide.

Each problem has "selected" experimental data. The example uses a fictitious binary A-B system where element A is BCC until it melts. Element B is BCC up to 1100 K and FCC above. There is a compound A2B stable in a limited temperature range.

  • The creation of the "setup" file is described (tcex36a.TCM) where you enter the elements and phases into the Gibbs Energy System (GES) module
  • The creation of the experimental data file is described (tcex 36b.TCM). When you run the TCEX36a macro, the contents of this macro file is automatically launched and the experimental data file created.
  • The actual run in the PARROT module in order to obtain the result (tcex 36cpd.TCM)

There are many commands used in this advanced example (listed in alphabetical order):

ADVANCED_OPTIONS

AMEND_ELEMENT_DATA AMEND_PHASE_DESCRIPTION

APPEND_EXPERIMENTAL_DATA

COMPILE_EXPERIMENTS

 
CONTINUE_OPTIMIZATION CREATE_NEW_EQUILIBRIUM CREATE_NEW_STORE_FILE
DEFINE_COMPONENTS EDIT_EXPERIMENTS ENTER_PARAMETER
ENTER_PHASE LABEL_DATA LIST_ALL_VARIABLES
LIST_PHASE_DATA LIST_RESULT MACRO_FILE_OPEN
OPTIMIZE_VARIABLES QUICK_EXPERIMENTAL_PLOT READ_WORKSPACES
RESCALE_VARIABLES SAVE_PARROT_WORKSPACES SAVE_WORKSPACES
SELECT_EQUILIBRIUM SET_ALL_START_VALUES SET_ALTERNATE_CONDITION
SET_ALTERNATE_MODE SET_FIX_VARIABLE SET_OPTIMIZING_VARIABLE

SET_STORE_FILE

SET_WEIGHT