entropy difference between two phases

issues about thermodynamics and their coupling to MICRESS
zhubq
Posts: 84
Joined: Mon Jun 22, 2009 7:33 pm

Re: entropy difference between two phases

Post by zhubq » Tue Aug 13, 2013 3:11 am

Bernd wrote:Hi Ben,

yes, that's it! Did you try already?

Bernd
Hi Bernd,
:cry: not yet.
We got MICRESS and TCS servers installed on two computers, and are figuring out how they can communicate.

Ben

zhubq
Posts: 84
Joined: Mon Jun 22, 2009 7:33 pm

Re: entropy difference between two phases

Post by zhubq » Tue Sep 10, 2013 11:35 pm

Hi Bernd,

Eventually, our TQS version is running well. Thanks a lot for help from your group. :)

But I got a warning about GES5 file format incompatible with TQ library.
I generated the file with TCCS. It should be no problem.
Could you please double check it?
Thank you.

Ben
Attachments
GES.rar
(8.01 KiB) Downloaded 135 times
1d_per_fer1043.in
(20.44 KiB) Downloaded 87 times

ralph
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anti_bot: 333

Re: entropy difference between two phases

Post by ralph » Wed Sep 11, 2013 4:46 pm

Hi Ben,

unfortunately, the GES5 file format is also architecture dependent (32/64 bit).
You attached a file made with a 32 bit version of TCCS. It works with MICRESS_TQS_x32.

Ralph

ralph
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anti_bot: 333

Re: entropy difference between two phases

Post by ralph » Wed Sep 11, 2013 4:55 pm

All the MICRESS versions can be found in the MICRESS.../bin folder for a normal installation.

For Linux, the easiest way to start another version is to copy the executable (MICRESS_TQS_x32) and matching TQ library (lib32/libtq32_S.so) to a new folder. Just rename the library to libtq.so and add the folder to the LD_LIBRARY_PATH.

Ralph

zhubq
Posts: 84
Joined: Mon Jun 22, 2009 7:33 pm

Re: entropy difference between two phases

Post by zhubq » Thu Sep 12, 2013 5:20 am

Hi Ralph,
Thank you. Now everything is OK.
Does MICRESS_TQS 6_001 version work well with paraTQ?
I got wrong thermodynamic data: for example, c0 is not consistent with what's obtained from TC.
later on, error 604 in QPARAD CALFUN. Total concentration greater than 1.

Here is part of my setting.
If I changed all components as "normal", the results are correct.

I also attach my files in case you may check them.
Thank you.

Ben
*******************************************************************************************************************

Please specify the redistribution behaviour of each component:
# Format: forward [backward]
# Options: nple para paraTQ normal ATC [mob_corr|verbose]
# Component 1 C
normal
# Component 2 MN
paraTQ
# Component 3 CR
paraTQ
# Component 4 SI
paraTQ
*******************************************************************************************************************
Attachments
1d_per_fer2.rar
(12.76 KiB) Downloaded 117 times

Bernd
Posts: 1088
Joined: Mon Jun 23, 2008 9:29 pm

Re: entropy difference between two phases

Post by Bernd » Fri Sep 13, 2013 9:19 pm

Hi Ben,

I still had no time to check your example, but just a quick guess: It could be related to the periodic boundary (EW) conditions in 1D - I fear this would not work, because each cell is its own neighbor. But it could also be something else...

I guess that you compared the c0 with the para-equilibrium model in Thermo-Calc.The values for the substitutional elements should be quite similar in both phases (not for C).

Bernd

zhubq
Posts: 84
Joined: Mon Jun 22, 2009 7:33 pm

Re: entropy difference between two phases

Post by zhubq » Tue Sep 17, 2013 12:22 am

Hi Bernd,

The periodic boundary condition has no problem for 1d. Now I got correct results. I guess the problem is in the input of initial concentrations.
But for some reasons, I got correct results now.
Thank you.

Ben

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