Follow-up Inquiry on MICRESS Capabilities for Dislocation-Precipitate Studies

[Bernd]

Dear yimi_rui,

my prior guess that the sign of dSf could be wrong was not correct. Please put it back. Instead, the problem seems to be the interface mobility of the 1/2-iterface which is much too high for a solid state reaction with substitutional diffusion. I tried with 1.E-9 instead of 1.E-6 cm**4/(Js), and it seems to work.

Unfortunately, your old MICRESS version still does not have automatic mobility control...

Bernd

[yimi_rui]

Hi，Bernad! Finally, we have decided to use a database. I tried to call the database by imitating a case, but it showed "GES File Not Found". I'm not sure if it's
(1) a problem with the input of my diving file program,
or (2) a problem with the GES File itself. I watched the tutorial videos on the website and learned that the GES File needs to be generated through the TCM file in Thermo-Calc software (am I right about that?). The input and TCM files can be found in the attachment.

This TCM file was given to me by a member of the research group. As a novice in using Thermo-Calc software, I opened the TCM file with Notepad and found that it is a very detailed and lengthy database. However, it did not generate a GES file, which makes it feel different from the TCM files in the MICRESS cases. The TCM files in the cases are very short, similar to software operation scripts or operation guides. Their purpose is to show how to configure the environment, select data, and prepare for subsequent calculations. (Question: Does this mean that the corresponding database must be included in the Thermo-Calc software?) Thank you again for the time you've spent answering my questions.

[Bernd]

Hi yimi_rui,

The .TCM file which you attached seems to contain database information and also an assessment of experimental data. It does not create a .GES5-file. Normal .TCM-files from us would read a database (installed together with TC or a user .tdb-file), select phases and components and then create the .GES5-file. I am not an expert of database assessment, but if the content of the file from you makes sense, you could get the .GES5-file after running the assessment by switching to the Gibbs Energy System (go g) and saving the results as CUCRTI (save CURCRTI).

Do you have a .GES5 file? If it is named CUCRTI.ges5 and located in the GES_Files directory (relative to the location of your input.txt file) MICRESS should find it. From the error message it seems not to be there.

Bernd

[yimi_rui]

Hi Bernd, I have a .GES file, and I'm wondering if the storage location of the .GES5 file affects the operation of the driving file. For example, my driving file is as follows:
# Database
# ========
# Is a thermodynamic database to be used?
# Options: database database_verbose database_consistent no_database database GES_Files/CUCRTI，

Is the folder structure like this: a main folder contains the driving file, and at the same level, there is a subfolder named GES_Files, which in turn contains the .GES format file named CUCRTI?

Should GES5 files be placed in the root directory of the MICRESS software?

Thank you again for the time you spent on your reply.

[Bernd]

Hi yimi_rui,

If the .GES5-file is not located in the root directory (where the driving file is located), the corresponding subdirectory must be specified or an absolute or relative path must be given. Of course, "database GES_Files/CUCRTI" must be placed in an extra line, not like it appears from your output below.

Bernd

[yimi_rui]

Hi Bernd, sorry, database GES_Files/CUCRTI" should indeed be placed on an extra line， that was a mistake in my input earlier!

Let me ask another novice question: if the GES5.file is not placed in the root directory of the program, would it be acceptable if I edit the absolute path like this?
Database
========
Is a thermodynamic database to be used?
Options: database database_verbose database_consistent no_database
database C:/MyProject/GES_Files/CUCRTI

Thanks once more for your time and your reply.

[ralph]

Should work if the path does not contain spaces.

I mean that the file CUCRTI.GES5 will be found. Wether it can be read sucessfully or not still depends of the correctness of the file and available licenses from Thermo-Calc.

The TC_TQ feature (purchased through MICRESS TQ module) and all features for databases (thermo-dynamic and mobility) used to create the GES5 file are necessary.
If the input procedure seems to hang, it is a sign for a lacking license.


Best,
Ralph