$$************************************************************************************************** 
************************************** GENERAL INFORMATION *****************************************
****************************************************************************************************

Script for introduction to scripting (1: Equilibrium calculations) according to Tutorial 13.
The following contents will be covered:

 - Purpose of scripts
 - Writing a script to perform a stepped calculation and display the results

A script is a text file, containing a list of commands to be executed in order from top to bottom. 
They are particularly useful to speed up routine or repetitive operations. Once a script file has 
been created, it can easily be modified to serve a new purpose, for example by changing the elements 
or phases in the system. Script files, consisting only of text, are also much smaller in size than 
MatCalc workspace files, especially those resulting from precipitation calculations.
Individual scripts can also be grouped into master-scripts; this facilitates, for example, 
calculations involving multi-stage heat treatments. Some sample scripts are provided with MatCalc.
You will find them in the subdirectories of 'MatCalc/scripts/script_menu/templates'. Of course,
you can also edit them in MatCalc by clicking on 'Open template…' in 'Script' menu.

Database: mc_fe.tdb
Author: P. Warczok
Creation date: 10.11.2008
This is a script for MatCalc version 6.00 (rel 0.200)
Last update: 07.02.2017 (M. Lueckl, Update for version 6.00)


**************************************************************************************************** 
************************************** SETUP INFORMATION *******************************************
**************************************************************************************************$$

use-module core $ Use "core" module (MatCalc uses "core" module by default anyway) 

new-workspace   $ creates a new workspace 

@ echo n        $ Hides command name in console     
set-workspace-info Script T13
set-workspace-info +Calculation of equilibrium phase stability
set-workspace-info +in Fe-0.4C wt.% system
set-workspace-info +with phases LIQUID, BCC_A2, FCC_A1 and CEMENTITE.
echo y          $ Shows command name in console

$$************************************************************************************************** 
**************************************** SYSTEM SETUP **********************************************
**************************************************************************************************$$

$ verify correct MatCalc version (is accessible as internal variable) 
if (matcalc_version<5440008)
   send-dialog-string "MatCalc version must be 5.44.0008 or higher to run this script. Stopping."
   stop-run-script $ stop script
endif


$$************************************************************************************************** 
                         DATABASES, CHEMICAL COMPOSITION, SELECTED PHASES
**************************************************************************************************$$

if (matcalc_version<6000000)
   open-thermodyn-database mc_sample_fe.tdb           $ Opens thermodynamic database mc_sample_fe.tdb
else
   test-exist-td-database mc_fe.tdb
      if(test_result==1)
         open-thermodyn-database mc_fe.tdb            $ Opens thermodynamic database mc_fe.tdb
      else
         send-dialog-string ""mc_fe.tdb"-database not found. Please, download it from MatCalc Website"
      endif
endif

select-elements c fe                                  $ Components: Fe, Nb, C
select-phases liq bcc_a2 fcc_a1 cem                      $ Phases: Liquid, bcc, fcc, cementite
read-thermodyn-database

set-reference-element FE
enter-composition wp c=0.4                            $ Composition: 0.4 wt.% C
 
set-temperature-celsius 700                           $ Temperature 700C
set-automatic-startvalues
calculate-equilibrium                                 $ Initial equilibrium


$$************************************************************************************************** 
                                        GRAPHICAL OUTPUT
**************************************************************************************************$$

set-step-option r 400 1600 L 25
step-equilibrium

new-gui-window p1 

set-gui-window-property . x t$c
set-gui-window-property . s u y                       $ set default x-axis to be used for all plots
set-gui-window-property . s t Temperature [C]         $ title for default x-axis

set-plot-option . t Phase stability in Fe-0.4 wt.% C

set-plot-option . a y 1 t Phase fraction [%]
set-plot-option . a y 1 f 100
set-plot-option . a y 1 y log                         $ changes axis type to log
set-plot-option . a y 1 s 1..100                      $ modifies axis scaling

set-plot-option . s n b f$liquid 
set-plot-option . s m -1 f$liquid Liquid

set-plot-option . s n b f$bcc_a2 
set-plot-option . s m -1 f$bcc_a2 Ferrite
set-plot-option . s n b f$fcc_a1 
set-plot-option . s m -1 f$fcc_a1 Austenite 
set-plot-option . s n b f$cementite
set-plot-option . s m -1 f$cementite Fe<sub>3</sub>C

move-gui-window . 20 20 800 1000
update-gui-window .
set-gui-window-property . y col_no_symb               $sets style-sheet to colour with no symbols.

create-new-plot x .

set_plot_option . t Composition of phases 
set-plot-option . a y 1 t Carbon content [wt.%]       $ label on y-axis
set-plot-option . s n b x$liquid$C $wp                 $ adding the first series...
set-plot-option . s m -1 x$liquid$C Liquid            $... and changing its name.
set-plot-option . s n b x$bcc_a2$C $wp
set-plot-option . s m -1 x$bcc_a2$C Ferrite 
set-plot-option . s n b x$fcc_a1$C $wp 
set-plot-option . s m -1 x$fcc_a1$C Austenite 
set-plot-option . s n b x$cementite$C $wp
set-plot-option . s m -1 x$cementite$C Fe<sub>3</sub>C


$$************************************************************************************************** 
                                         SAVING WORKSPACE
**************************************************************************************************$$

save-workspace Tutorial_13