MatCalc version: 5.44.1002
Database: mc_fe.tdb, mc_x_FeAlCCrMnNSiV.tdb, mc_sample_fe.ddb
Author: Georg Stechauner
Created: 2012-01-20
Revisions:
Click here to view the script for this tutorial.
Set up the thermodynamics by either loading the mc_fe database, or the corresponding example database mc_x_FeAlCCrMnNSiV.
Select the following phases, elements and enter the chemical composition in wt-%:
Elements | Chemical composition | Phases |
---|---|---|
Al | 0.052 | AlN |
C | 0.2 | FCC_A1 |
Mn | 1.34 | |
N | 0.023 | |
Si | 0.52 | |
V | 0.14 |
Set Fe to reference element.
Conclude the thermodynamic setup by loading the diffusion database for Fe.
The script contains several tables with the experimental data from König et. al. Enter the CIE table, and one temperature if you are only interested in one curve. Enter all tables for the full spectrum of results.
Create the following tables:
CIE_VN | |
---|---|
Temperature / C | Value |
1073 | 1 |
1123 | 1 |
1173 | 0.94 |
1223 | 0.85 |
1273 | 0.69 |
1373 | 0.69 |
VN, 900C | AlN, 900C | ||
---|---|---|---|
x-Value: time / s | y-value: phase fraction | x-Value: time / s | y-value: phase fraction |
3600 | 0.00024 | 3600 | 0.00016 |
10800 | 0.00104 | 10800 | 0.00016 |
21600 | 0.00112 | 21600 | 0.00024 |
VN, 950C | AlN, 950C | ||
---|---|---|---|
x-Value: time / s | y-value: phase fraction | x-Value: time / s | y-value: phase fraction |
3600 | 0.00008 | 3600 | 0.00008 |
10800 | 0.00048 | 10800 | 0.00016 |
21600 | 0.00056 | 21600 | 0.00016 |
72000 | 0.00064 | 72000 | 0.0004 |
86400 | 0.00056 | 86400 | 0.00048 |
108000 | 0.00048 | 108000 | 0.00064 |
144000 | 0.00032 | 144000 | 0.00112 |
360000 | 0.00016 | 360000 | 0.00152 |
Next we enter the data for the precipitation domain. To do so, open the precipitation domain dialog and create a new domain. Select fcc_a1 as its matrix phase. Enter the following data in the corresponding tabs:
Tab | Option | Value |
---|---|---|
Structure | Grain diameter | 50e-6 |
Dislocation density | 1e11 | |
Special | Young's modulus | (193000-73.333*T$C)*1e6 |
Diffusion ratio grain boundary and bulk (substitutional) | (10^(11-0,005*T$C)) | |
Diffusion ratio grain boundary and bulk (interstitional) | (10^(11-0,005*T$C)) | |
Diffusion ratio dislocation and bulk (substitutional) | (10^(7-0,0025*T$C)) | |
Diffusion ratio dislocation and bulk (interstitional) | (10^(7-0,0025*T$C)) |
Follow by setting up the precipitates. Bring up the phase status dialog window and select the AlN phase. Click 'Create new phase' and select 'precipitate'. Repeat this step for VN.
Precipitate | Tab | Option | Value |
---|---|---|---|
AlN_p0 | Precipitate | #size classes | 50 (Initialize!) |
AlN_p0 | Attached to pd | austenite | |
AlN_p0 | Use interface energy size correction | ✔ | |
AlN_p0 | Nucleation | Restrict nucleation to prec domain | ✔, select ferrite |
AlN_p0 | Nucleation sites | grain boundary | |
AlN_p0 | Structure | ignore for prec. strengthening | ✔ |
Precipitate | Tab | Option | Value |
---|---|---|---|
VN_p0 | Precipitate | #size classes | 50 (Initialize!) |
VN_p0 | Attached to pd | austenite | |
VN_p0 | Interface energy | No flag, enter: cie$vn*cie_vn(T) |
|
VN_p0 | Use interface energy size correction | ✔ | |
VN_p0 | Nucleation | Restrict nucleation to prec domain | ✔, select ferrite |
VN_p0 | Nucleation sites | dislocations |
To ensure correct thermodynamic values and no driving force errors (DFM-errors), set automatic start values and calculate an equilibrium at 1250C.
Set end time to 1e6 and temperature to the either 900 or 950C. Check the figure below for correct settings. Press Go! to start the simulation.
Create a new X-Y-Plot (p1) and add two new plots. Set a default x-axis to logarithmic with a scaling from 1e-6.. and label the axis time / s.
f_prec$…
) and the corresponding experimental data from the table. r_mean$…
). Add a scaling factor of 1e9 to display the size in nm. num_part$…
).Label the y-axes accordingly.
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