Thermocalc script – equilibrium calculation

Here is code to calculate equilibrium and put to an output file. With an external program you can use this to put output into format for a graph.

comments start with @@ on a new line, but can only be put before the blocks of commands.


goto-module poly_3
@@ define database and composition, First line major element (balance)
@@ Y is for weight percent, N would be at/mole percent
@@ then elements and amounts, blank line to finish
@@ then temperature in Celcius, remove or add phases (2 lines NONE, NONE)
@@ Y to say OK
@@ Then N to say no miscibility gap
define-material
ttni8
Ni
Y
Cr
25
C
0.2
Al
2.0
Ti
0.15
Zr
0.07
Mn
0.1
Si
0.25
Cu
0.05
Fe
10

500
NONE
NONE
Y
N
@@ list the equilibrium, change FILENAME to SCREEN (or leave as default)
list-equilibrium
FILENAME
vxcs

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Thermocalc script to generate GES5 file

Thermocalc script to make a GES5 file – these files contain thermodynamic data and are used with the tq programming interface to thermocalc.

Make_GES5.TCM

go database-retrieval
switch-database ttni8
define-elements Ni Cr
get-data
goto gibbs-energy-system
save
Ni-Cr-Data