$$************************************************************************************************** ************************************* GENERAL INFORMATION ****************************************** **************************************************************************************************** This example script simulates a technical Al-Cu alloy with 4.3 wt-% Cu. The script begins at high temperatures in the solution annealed condition where only the FCC_A1 matrix is present. Upon quenching to room temperature, precipitates form. After a short time at a low temperature the alloy is slowly reheated again until the solution annealing temperature is reached. Consequently the heat flow is plotted which equals the results of a DSC experiment. Database: mc_sample_al.tdb, mc_sample_al.ddb Author: G. Stechauner Creation date: 2012-03-13 This is a script for MatCalc version 5.50 (rel 0.007) Last update: --- **************************************************************************************************** ************************************** SETUP INFORMATION ******************************************* **************************************************************************************************$$ $ make sure we work in the correct module use-module core $ close any open workspace without asking for save close-workspace f $ Create a new workspace. new-workspace $ Enter workspace info. set-workspace-info +Example P2_3: DSC curve set-workspace-info + set-workspace-info +Elements: Al, Cu set-workspace-info +Phases: FCC_A1, TH_DP, THETA_PRIME, THETA_AL2CU set-workspace-info + set-workspace-info +Example script for isothermal simulation of Al-Cu alloy. set-workspace-info +Refer to www.matcalc.at for further information. $$************************************************************************************************** **************************************** SYSTEM SETUP ********************************************** **************************************************************************************************$$ $ verify correct MatCalc version (is accessible as internal variable) if (matcalc_version<5500007) send-dialog-string "MatCalc version must be 5.50.0007 or higher to run this script. Stopping." stop-run-script $ stop script endif set-variable-value npc 25 $ number of precipitate classes set-variable-value temp 25 $ Select annealing temperature set-variable-value quench 900 $ Enter quenching rate in K/s $$*************************************************************************************************** DATABASES, CHEMICAL COMPOSITION, SELECTED PHASES ***************************************************************************************************$$ open-thermodyn-database mc_sample_al2.tdb select-elements Al Cu select-phases FCC_A1 TH_DP THETA_PRIME THETA_AL2CU read-thermodyn-database $ Read the diffusion database for Al-based alloys. read-mobility-database mc_al.ddb $ enter chemical composition enter-composition wp Cu=4.3 $calculate some initial equilibrium set-temperature-celsius 550 set-automatic-startvalues calculate-equilibrium $$*************************************************************************************************** SET UP PRECIPITATION DOMAIN ***************************************************************************************************$$ create-precipitation-domain almatrix $ set precipitation domain properties set-precipitation-parameter almatrix x fcc_a1 $ define thermodynamic matric phase set-precipitation-parameter almatrix t d e 1e11 $ set equilibrium dislocation density set-precipitation-parameter almatrix v c m f $ define vacancy model (FSK dynamics) set-precipitation-parameter almatrix v f y 1 $ consider excess vacancy concentration set-precipitation-parameter almatrix h m 69.22e9-(4.01e7)*T $ define Youngs-module set-precipitation-parameter almatrix h p 0.33 $ define poisson-number set-precipitation-parameter almatrix t g 200e-6 $ define grain size set-precipitation-parameter almatrix s g s y 10^(11-0,005*T$c) $ define gb-diffusion, substitution set-precipitation-parameter almatrix s g i y 10^(11-0,005*T$c) $ define gb-diffusion, interstitial set-precipitation-parameter almatrix s d s y 10^(7-0,0025*T$c) $ define pipe diffusion, substitution set-precipitation-parameter almatrix s d i y 10^(7-0,0025*T$c) $ define pipe diffusion, interstitial $$*************************************************************************************************** SET UP PRECIPITATES ***************************************************************************************************$$ create-new-phase TH_DP p SET_PRECIPITATION_PARAMETER TH_DP_P0 C npc $ npc = fixed variable SET_PRECIPITATION_PARAMETER TH_DP_P0 D almatrix $ attached to precipitation domain SET_PRECIPITATION_PARAMETER TH_DP_P0 N S B $ nucleation site $SET_PRECIPITATION_PARAMETER TH_DP_P0 F N $ no diffuse interface SET_PRECIPITATION_PARAMETER TH_DP_P0 t M N 0.03 $ volumetric misfit SET_PRECIPITATION_PARAMETER TH_DP_P0 N F Y $ coherent misfit in nucleation engergy SET_PRECIPITATION_PARAMETER TH_DP_P0 S A 0.002 $ vacancy annihilation constant create-new-phase THETA_PRIME p SET_PRECIPITATION_PARAMETER THETA_PRIME_p0 C npc SET_PRECIPITATION_PARAMETER THETA_PRIME_p0 D almatrix SET_PRECIPITATION_PARAMETER THETA_PRIME_p0 N S D $ dislocations $SET_PRECIPITATION_PARAMETER THETA_PRIME_p0 F N SET_PRECIPITATION_PARAMETER THETA_PRIME_p0 t M N 0.01 SET_PRECIPITATION_PARAMETER THETA_PRIME_p0 N F Y create-new-phase THETA_AL2CU p SET_PRECIPITATION_PARAMETER THETA_AL2CU_p0 C npc SET_PRECIPITATION_PARAMETER THETA_AL2CU_p0 D almatrix SET_PRECIPITATION_PARAMETER THETA_AL2CU_p0 N S D $ dislocations SET_PRECIPITATION_PARAMETER THETA_AL2CU_p0 N U 0,01 $SET_PRECIPITATION_PARAMETER THETA_AL2CU_p0 F N SET_PRECIPITATION_PARAMETER THETA_AL2CU_p0 t M N 0.12 SET_PRECIPITATION_PARAMETER THETA_AL2CU_p0 N F Y $ create equilibrium phase: fcc_a1 .... needed for reference sample create-new-phase fcc_a1 E $ necessary for a precipitate phase fcc_a1 $ create precipitate of equilibrium phase: fcc_a1#01 create-new-phase fcc_a1#01 P $ precipitate with composition of matrix set-precipitation-parameter fcc_a1#01_p0 c npc $ num_size-classes = 25 set-precipitation-parameter fcc_a1#01_p0 D almatrix $ attached to precipitation domain set-precipitation-parameter fcc_a1#01_p0 N S B $ nucleation site: bulk set-precipitation-parameter fcc_a1#01_p0 N C F 0.99999 0.00001 $ define "pure" Aluminium as reference $$*************************************************************************************************** PLOTS AND OUTPUT WINDOWS ***************************************************************************************************$$ new-gui-window p1 $ create plot window $ define default x-axis properties set-gui-window-property . X T$C $ use default x-axis for all plots in temperature / C set-gui-window-property . S T temperature / °C $ axis title set-gui-window-property . S U Y $ use for all plots move-gui-window . 20 20 420 900 $ define plot properties: phase fractions set-plot-option . a y 1 t Phase fraction set-plot-option . S N B f_prec$* create-new-plot x . $ new series - heat flow set-plot-option . S N b ((HM$k-HMp$fcc_a1#01_p0$k)*1/3)/1000*10/60 $ 1/3 ... experimental factor; /1000 ... kg to g; *10/60 ... heating rate K/s set-plot-option . S V -1 ((HM$k-HMp$fcc_a1#01_p0$k)*1/3)/1000*10/60 1 $ first derivative of enthalpy (T) set-plot-option . S M -1 ((HM$k-HMp$fcc_a1#01_P0$k)*1/3)/1000*10/60 simulated values $ rename series set-plot-option . a y 1 t Heat flow [W/g] $ y axis titel: heat flow / W/g $$*************************************************************************************************** PLOTS AND OUTPUT WINDOWS ***************************************************************************************************$$ $ Add some experimental DSC curve data create-global-table experimental_data_AlCu4.3/10Kmin-1 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.18E+01 -2.00E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.84E+01 -3.47E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.51E+01 -3.58E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 5.17E+01 -3.58E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 5.83E+01 -3.90E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 6.49E+01 -4.22E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 7.16E+01 -4.86E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 7.82E+01 -5.59E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 8.48E+01 -5.91E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 9.14E+01 -6.02E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 9.81E+01 -5.39E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.05E+02 -4.66E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.11E+02 -3.93E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.18E+02 -3.20E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.25E+02 -2.36E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.31E+02 -1.21E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.38E+02 -4.79E-04 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.45E+02 3.58E-04 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.51E+02 1.09E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.58E+02 1.72E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.64E+02 1.71E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.71E+02 1.71E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.78E+02 1.60E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.84E+02 1.28E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.91E+02 9.64E-04 add-table-entry experimental_data_AlCu4.3/10Kmin-1 1.98E+02 1.20E-04 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.04E+02 -7.24E-04 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.11E+02 -2.09E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.17E+02 -3.04E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.24E+02 -3.57E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.31E+02 -3.89E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.37E+02 -4.21E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.44E+02 -4.53E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.51E+02 -4.74E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.57E+02 -4.95E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.64E+02 -5.38E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.70E+02 -5.91E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.77E+02 -6.64E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.84E+02 -7.28E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.90E+02 -8.33E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 2.97E+02 -9.39E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.04E+02 -1.04E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.10E+02 -1.19E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.17E+02 -1.34E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.23E+02 -1.47E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.30E+02 -1.55E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.37E+02 -1.57E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.43E+02 -1.53E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.50E+02 -1.42E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.57E+02 -1.27E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.63E+02 -1.08E-02 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.70E+02 -8.58E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.77E+02 -6.17E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.83E+02 -3.44E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.90E+02 -1.45E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 3.97E+02 6.46E-04 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.03E+02 2.43E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.10E+02 3.37E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.16E+02 3.37E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.23E+02 1.89E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.30E+02 -5.27E-04 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.36E+02 -3.05E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.43E+02 -3.58E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.50E+02 -1.38E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.56E+02 1.88E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.63E+02 4.71E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.70E+02 6.81E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.76E+02 7.96E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.83E+02 7.64E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.89E+02 5.64E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 4.96E+02 2.80E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 5.03E+02 -4.60E-04 add-table-entry experimental_data_AlCu4.3/10Kmin-1 5.09E+02 -2.56E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 5.16E+02 -3.30E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 5.22E+02 -2.99E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 5.29E+02 -2.57E-03 add-table-entry experimental_data_AlCu4.3/10Kmin-1 5.36E+02 -1.53E-03 set-plot-option 2 S N T Experimental_data_AlCu4.3/10Kmin-1 $$*************************************************************************************************** HEAT TREATMENT ***************************************************************************************************$$ create-heat-treatment iso $ Create new heat treatment append-ht-segment iso $ create a heat treatment segment edit-ht-segment iso . s 550 $ set start temperature edit-ht-segment iso . 1 temp quench $ set segment end temperature and quenching rate edit-ht-segment iso . D N almatrix $ precipitation domain append-ht-segment iso edit-ht-segment iso . 2 0 60 $ set heating-rate and time append-ht-segment iso edit-ht-segment iso . 1 560 10/60 $ set end-temperature and heating rate set_simulation_parameter t h iso 10 start-precipitate-simulation