Hi,
I am experiencing the following error message upon starting a simulation (input file attached):
Routine init calls routine initConcFeld
Routine init calls routine initMol
MICRESS error 24 MICRESS err
WARNING IN toolGetMolVolTQ!
Error in first equilibrium! FCC_L12
May I inquire about what could be creating the conflict?
Best regards,
Mauro
Error in first equilibrium! FCC_L12
Error in first equilibrium! FCC_L12
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Re: Error in first equilibrium! FCC_L12
Hi mauvec,
It seems that you are requesting single-phase equilibria for calculation of the molar volume at a very low temperature and for a composition which corresponds to the nominal composition of an alloy with high γ'-content. Even if you use the "vol_comp_set"-option, which allows a phase separation into γ/γ', it turns out to be very difficult to get an equilibrium composition for the disordered phase. A workaround is to restrict the temperature range (as at low temperature anyway nothing happens...). This has been done in the example A017 (which you probably used as a starting template) by using the "temp_limit_TQ" keyword.
This is not a very nice solution, but solved the problem for A017. I can re-check after my holidays whether a better solution is available meanwhile.
Bernd
It seems that you are requesting single-phase equilibria for calculation of the molar volume at a very low temperature and for a composition which corresponds to the nominal composition of an alloy with high γ'-content. Even if you use the "vol_comp_set"-option, which allows a phase separation into γ/γ', it turns out to be very difficult to get an equilibrium composition for the disordered phase. A workaround is to restrict the temperature range (as at low temperature anyway nothing happens...). This has been done in the example A017 (which you probably used as a starting template) by using the "temp_limit_TQ" keyword.
This is not a very nice solution, but solved the problem for A017. I can re-check after my holidays whether a better solution is available meanwhile.
Bernd