Hi,
I am an M.A.Sc student work on thermodynamic modelling about specific Alloy via Factsage.
I am trying to calculate the phase fraction diagram via the Equilib module to see the relationship between different phase formations and temperature. I found the following problems with the databases either lacking the element or phases described inaccurately compared with the experiment one.
Since this, I tried to solve this issue is to build a custom database.
For example, Gamma prime phase shows like Ni3(Al,Ti) chemical formula. how should I build this by using sublattice modelling? I have already done with the model gamma prime L12 phase in Ni-Al and Ni-Ti system. But I could not find this gamma prime phase shows up in the Al-Ti system. It exists the D022 and D019 instead for both the Al side and Ti side.
So that I have no idea how to merge them to model the Ni3(Al,Ti)
I sincerely hope to receive some help or suggestion about this. Thanks.
Hello,
You may have a look on some papers explaining how to introduce FCC_L12 ordering contribution in FCC_A1:
On the compound energy formalism applied to fcc ordering., A.Kusoffsky, N.Dupin, B.Sundman, Calphad, Volume 25, Issue 4, December 2001, Pages 549-565
Thermodynamic re-assessment of the ternary system Al-Cr-Ni, N.Dupin, I.Ansara, B.Sundman, Calphad, Volume 25, Issue 2, June 2001, Pages 279-298
Regards
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