Creating A Simulation

[SteelOx]

Hi All,

I'm trying to create a simulation modelling the surface solidification of oxides, but i am struggling to get past the RESTART options.

Does anybody have any advice or tips for starting this type of simulation

Any help would be greatly appreciated

Kind Regards

SteelOX

[ralph]

Hi SteelOx,

it is recommended to start with an example and modifying it.
If you really want to start from scratch, maybe use the MICRESS executable instead of MICpad.

Minimal driving file in MICpad to start a simulation, should be (MICpad 7.000):

Code: Select all

english
Res/fromScratch
overwrite
new

Version 6.4 is a little more tricky:

Code: Select all

english
100
100
100
0.5
phase
multi_obstacle fd_correction
0.1
0.1
new
# Name of result files?
Res/fromScratch64

In the result view for the standard output, you should see the MICRESS request for more input. This is just output, you have to modify the driving file part and start again.

Best,
Ralph

[Bernd]

Dear SteelOx,

Welcome to the MICRESS forum.

Unfortunately, we do not have any example input file which is directly suitable for simulation of surface oxidation. I would recommend you to start with some steel example like, perhaps, the A001_Delta_Gamma_dri. This example is for ternary Fe-Cr-C and has the phases LIQUID, FCC_A1 and BCC_A2. You should first check whether you get it running properly.

Then, you may change it step-wise by adapting composition and finally changing LIQUID phase to GAS and BCC_A2 to your oxide phase. You will have to create a suitable .GES5 file for that, which needs to have exactly the same elements which you use in the MICRESS simulation. Try to start with the most simple chemistry which is sufficient for the basic oxidation reaction (e.g. Fe-Cr-O). The gas phase can be pure oxygen at the beginning. For creating the .GES5 file, you can use and modify one of the .TCM files in the GES_FILES directory and run them using Thermo-Calc software.

Simulation of oxidation is certainly not trivial, but we will try to help you with that here in the forum. I wish you good luck and a lot of fun with MICRESS...

Best wishes
Bernd

[SteelOx]

Thank you for the help,

[SteelOx]

Thank you for the help,

And how do i modify the examples when the simulation will change?

How do i create a .GES5 file in order to get started.

Apologies im very new at this

[ralph]

Change the driving file parameters (input file).

Creating a GES5 file with Thermo-Calc is detailed here:
https://docs.micress.rwth-aachen.de/mic ... s-overview

[SteelOx]

Dear SteelOx,

Welcome to the MICRESS forum.

Unfortunately, we do not have any example input file which is directly suitable for simulation of surface oxidation. I would recommend you to start with some steel example like, perhaps, the A001_Delta_Gamma_dri. This example is for ternary Fe-Cr-C and has the phases LIQUID, FCC_A1 and BCC_A2. You should first check whether you get it running properly.

Then, you may change it step-wise by adapting composition and finally changing LIQUID phase to GAS and BCC_A2 to your oxide phase. You will have to create a suitable .GES5 file for that, which needs to have exactly the same elements which you use in the MICRESS simulation. Try to start with the most simple chemistry which is sufficient for the basic oxidation reaction (e.g. Fe-Cr-O). The gas phase can be pure oxygen at the beginning. For creating the .GES5 file, you can use and modify one of the .TCM files in the GES_FILES directory and run them using Thermo-Calc software.

Simulation of oxidation is certainly not trivial, but we will try to help you with that here in the forum. I wish you good luck and a lot of fun with MICRESS...

Best wishes
Bernd

I have tried to run this application example A001 as is, but it didn't finished. I have put below what the last few lines of the text says, any help would be greatly appreciated.

# Please specify a criterion for the choice
# of the direction of the redistribution model:
# Options: local_velocity average_velocity bottom_temperature
bottom_temperature
# Reading GES5 workspace ...
# Index relations between TC and MICRESS
# --------------------------------------
# The database contains the following components:
# Number of components in database is not
# identical to given number


Press any key to exit

Regards Steelox

[Bernd]

Dear SteelOX,

for technical reasons it is necessary that the number of elements which you define in MICRESS is identical to the number of elements which are included in the .GES5 file. When changing the number or type of elements in a simulation, you typically need to modify also the .GES5 file.

Bernd