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

Script for T0-temperature in Fe-Cr-C according to Tutorial 10.
The following contents will be covered:

 - T0-temperature calculation
 - Martensite / Bainite transformation
 - Variation of T0-temperature with carbon and chromium content
 - Import and display of experimental data into plots

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: 06.02.2017 (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 

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

$ 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_fe2.tdb       $ Opens thermodynamic database mc_sample_fe2.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 FE C CR VA                         $ Components: Fe, C, Cr
select-phases FCC_A1 BCC_A2                        $ Phases: fcc, bcc
read-thermodyn-database

set-reference-element FE
enter-composition WP C=0,1 CR=1                    $ Composition: 0.1 wt.% C, 1 wt.% Cr

set-temperature-celsius 800                        $ Temperature 800C
set-automatic-startvalues
calculate-equilibrium                              $ Initial equilibrium	


$$************************************************************************************************** 
                                 CALCULATE THE T0-TEMPERATURE
**************************************************************************************************$$

search-phase-boundary T BCC_A2              $ Varying temperature for the bcc phase boundary search

create-calc-state Start_austenite

$$ Searching the T[0]-temperature with [bcc_a2] as a target phase and [fcc_a1] as a parent phase. 
 The composition of target phase is forced to the one of the parent phase (option switched to 
 [y]es). The dfm-offset is switched to 0 $$
search-phase-boundary 0 BCC_A2 fcc_a1 Y 0


$$************************************************************************************************** 
                    EVALUATE T0-TEMPERATURE AS A FUNCTION OF CHROMIUM CONTENT
**************************************************************************************************$$

set-step-option Y M               $ Selects the t[y]pe of calculation: "T0-te[m]perature"
set-step-option E CR              $ Chromium content varied
set-step-option R 0 10 L 0,5      $ Range 0 - 10; linear step of 0,5
set-step-option O C Y             $ Temperature in Celsius
set-step-option O E Y             $ Composition in wt.%
set-step-option A BCC_A2          $ The T0-dependent ph[a]se is bcc
set-step-option N FCC_A1          $ The T0-pare[n]t phase is fcc
$ In the [o]ptions section, the [f]orce parent composition option is switched to [y]es
set-step-option O F Y
step-equilibrium

new-gui-window p1 	
set-plot-option . S N B T$C %s                            $ Plotting the T0-temperature
set-plot-option . A X 1 T Cr content [wt.%]               $ x-axis title 
set-plot-option . A Y 1 T T<sub>0</sub>-temperature [C]   $ y-axis title
set-plot-option . L N                                     $ No legend
set-plot-option . G M X Y          $ Switching on the major gridlines for x-axis
set-plot-option . G M Y Y          $ Switching on the major gridlines for y-axis


$$************************************************************************************************** 
                     EVALUATE T0-TEMPERATURE AS A FUNCTION OF CARBON CONTENT
**************************************************************************************************$$

rename-current-buffer T0-chromium
create-calc-buffer T0-carbon 
load-calc-state                             $ Loads the last calc-state - "start_austenite"

set-step-option Y M                         $ Selects the t[y]pe of calculation: "T0-te[m]perature"
set-step-option E C                         $ Carbon content varied
set-step-option R 0 1 L 0,05                $ Range 0 - 1; linear step of 0,05 
set-step-option O C Y                       $ Temperature in Celsius
set-step-option O E Y                       $ Composition in wt.%
set-step-option A BCC_A2                    $ The T0-dependent ph[a]se is bcc
set-step-option N FCC_A1                    $ The T0-pare[n]t phase is fcc
$ In the [o]ptions section, the [f]orce parent composition option is switched to [y]es
set-step-option O F Y
step-equilibrium

set-gui-window-property . B T0-carbon       $ "T0-carbon" buffer results are plotted
set-plot-option . A X 1 T C content [wt.%]  $ x-axis title 


$$************************************************************************************************** 
                    ADD SOME EXPERIMENTAL DATA ON MARTENSITE START TEMPERATURES
**************************************************************************************************$$

create-calc-buffer T0_with_offset
create-global-table Exp_data             $ Creating table

add-table-entry Exp_data 0 540           $ Adding to the "Exp_data" table the pair "0", "540"
add-table-entry Exp_data 0.086 510       $ Adding to the "Exp_data" table the pair "0.086", "510"
add-table-entry Exp_data 0.1936 475      $ etc...
add-table-entry Exp_data 0.2409 480
add-table-entry Exp_data 0.2495 470
add-table-entry Exp_data 0.2581 440
add-table-entry Exp_data 0.3011 430
add-table-entry Exp_data 0.3226 410
add-table-entry Exp_data 0.3871 410
add-table-entry Exp_data 0.3871 400
add-table-entry Exp_data 0.3871 395
add-table-entry Exp_data 0.4560 405
add-table-entry Exp_data 0.4947 355
add-table-entry Exp_data 0.5054 375
add-table-entry Exp_data 0.6022 330
add-table-entry Exp_data 0.6022 320
add-table-entry Exp_data 0.7097 280
add-table-entry Exp_data 0.7312 280
add-table-entry Exp_data 0.7743 265
add-table-entry Exp_data 0.8173 240
add-table-entry Exp_data 0.8603 225

$$ For the current plot[.], in [s]eries section, [n]ew series with the [t]able/experimental 
 data from "Exp_data" table is plotted $$
set-plot-option . S N T exp_data
set-plot-option . L R               $ Legend on the right
set-gui-window-property . L         $ Locking all unlocked series (applies only to buffer result)
$ Renaming series: no.0 --> "T<sub>0</sub> - dfm = 0 J/mol"
set-plot-option . S M -1 *_T$C 'T<sub>0</sub> - dfm = 0 J/mol'
set-plot-option . S M 1 Exp_data    $ Renaming series: no.1 --> "Exp_data"
set-gui-window-property . B T0_with_offset    $ "T0_with_offset" buffer results are plotted


$------------------------------------ dfm offset = 1200 J/mol -------------------------------------$
set-step-option Y M              $ Selects the t[y]pe of calculation: "T0-te[m]perature"
set-step-option E C              $ Carbon content varied
set-step-option R 0 1 L 0,05     $ Range 0 - 1; linear step of 0,05
set-step-option O C Y            $ Temperature in Celsius
set-step-option O E Y            $ Composition in wt.%
set-step-option A BCC_A2         $ The T0-dependent ph[a]se is bcc
set-step-option N FCC_A1         $ The T0-pare[n]t phase is fcc
$ In the [o]ptions section, the [f]orce parent composition option is switched to [y]es
set-step-option O F Y
set-step-option D 1200           $ Sets the T0-[d]fm-offset to 1200 J/mol
step-equilibrium

set-gui-window-property . L      $ Locking all unlocked series (applies only to buffer result)
$ Renaming series: no.0 --> "T<sub>0</sub> - dfm = 1200 J/mol"
set-plot-option . S M -1 *_T$C 'T<sub>0</sub> - dfm = 1200 J/mol'


$------------------------------------ dfm offset = 1700 J/mol -------------------------------------$
set-step-option Y M              $ Selects the t[y]pe of calculation: "T0-te[m]perature"
set-step-option E C              $ Carbon content varied
set-step-option R 0 1 L 0,05     $ Range 0 - 1; linear step of 0,05
set-step-option O C Y            $ Temperature in Celsius
set-step-option O E Y            $ Composition in wt.%
set-step-option A BCC_A2         $ The T0-dependent ph[a]se is bcc
set-step-option N FCC_A1         $ The T0-pare[n]t phase is fcc
$ In the [o]ptions section, the [f]orce parent composition option is switched to [y]es
set-step-option O F Y
set-step-option D 1700           $ Sets the T0-[d]fm-offset to 1700 J/mol
step-equilibrium

set-plot-option . S L -1 T$C Y   $ Locking the last series
$ Renaming series: no.0 --> "T<sub>0</sub> - dfm = 1700 J/mol"
set-plot-option . S M -1 *_T$C 'T<sub>0</sub> - dfm = 1700 J/mol'


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

save-workspace Tutorial_10