Property Diagram Exercise:
Background : a one axis calculation with stepping in temperature. To obtain phase and phase
change with range of temperature in equilibrium.
1. Click on the database dropdown menu and select the FEDEMO database.
2. select the elements iron and carbon. The system is now defined,
3. We need to set temperature, pressure, system size and composition. The temperature
will be varied between 500 and 2000 kelvin we’ll use the default of 1000 kelvin here
and set the range later.
4. We’ll also use the default values for pressure and system size. For the composition,
we only need to set one elementbecause the system size has been defined,making the
other element dependent.Therefore when we set carbon, iron will adjust
automatically. We will set carbon to 0.1 weight percent,( you can change these values
if you’re working on your own calculation) You can also change the units for
temperature, pressure so on.
5. We also need to select our calculation type, select One axis or Property Diagram if
you have an older version of the software. When we do that, your temperature range
will appear if it was not already there.
Set the range from 500 to 2000 kelvin.
(You can also step in pressure, system size or composition)
6. select the Plot Renderer node.
Uncheck the Automatic Scaling boxes for both axes.
Change the maximum temperature to 2000 so it matches the range we set in the
previous node.
(You can also change the Y-axis to show a variety of things, such as Gibbs energy)
leave it on Amount of Phase.
7. select Perform at the bottom centre of the program.
8. Once the calculation is complete, a plot will appear in the results pane.
The X-axis shows the Temperature and the Y-axis shows the Amount of Phases.
This plot shows you the how the fractions of stable phases
vary for an iron 0.1 mass percent carbon alloy
when the temperature is varied between 500 and 2000 kelvin.
For instance, at 750 kelvin there are two phases – graphite and BCC. If you zoom in
to the graph by dragging the mouse down and to the right,
9. You can also see these results in the form of a table.
-Right click on Equilibrium Calculator,
-hover over Create New Successor and select Table Renderer then select Perform.
A table will appear in the results pane.
If we scroll to 750 kelvin we get similar but more precise results
of the percentages we looked at earlier.
You can export the contents of either the table or the plot
in a variety of formats by right clicking on either
and selecting Save As.
Phase Diagram:
Background : We will do calculation for phase diagram of Fe-C ( two axis equilibrium)
1. Click the My Project Node
then select the Phase Diagram template.
2. Start by selecting the System Definer.
Click on the Database dropdown menu and select the FEDEMO database
3. so click on the equilibrium calculator to set the conditions.
we can set temperature, pressure, system size and composition.
We’ll use the default values for all the conditions,
4. Next we need to select our calculation type,
make sure Phase Diagram is selected.
5. we need to set the axes to Mass percent and Temperature.
Our calculation is now configured,
6. select Perform Tree at the bottom, centre of the program.
Once the calculation is complete, a plot will appear in the results pane.
You can change the number of tie lines by selecting Plot Renderer…
changing the number of tie lines…
and clicking Perform again.
This plot shows you the stable iron carbon phase diagram.
Stable meaning that the graphite phase is entered in the calculation
and is represented here at 100 mass percent.
7. To see the composition at any temperature imply hover your mouse anywhere on the plot.
8. To see the exact composition, right click on the plot, select Add Label, then Show Details.
When you select Okay a label will be added to the plot showing which phases are equilibrium
at that point.
You can also change the title and rename the axes by right clicking on the plot and selecting
Properties…
When you’re done, select Ok.
Tugas :
Tugas 1 (graphical Mode):
Plot property diagram untuk komposisi Fe-C
Dengan komposisi wt% C
1. 0.1
2. 0.4
3. 0.8
4. 2
5. 2.2
Jelaskan perubahan fasa (fasa & temperatur) yang terjadi akibat pendinginan (dari 2000K-
500K) dan mengapa ada fasa yang berbeda pada komposisi yang berbeda?
Tugas 2 (Graphical Mode):
Plot diagram fasa untuk Fe-C
Berikan label untuk setiap komposisi:
1. 0.1 %wt C
2. 0.4 %wt C
3. 0.8 %wt C
4. 2 %wt C
5. 2.2 %wt C
Pada temperature 800o C
