We can now have a look at the error messages: the Fe,Al,C system is interesting because even important interaction parameters are missing...

ERROR: NO DATA FOUND FOR UNARY Al:C<BCC_A2>

MTdata doesn't know how Al and C interact.

ERROR: NO DATA FOR BINARY INTERACTION Al,Fe:C<BCC_A2:1:3>

Mtdata doesn't know how Al and Fe interact on the first sublattice with C on the second one. But you note there is no such message for Al,Fe:Va, therefore mtdata has a parameter for the interactions between Fe and Al !

The Fe,Al,C system is really one of the worst example, specially because important phases are concerned by the lack of interaction parameters. If you try with 'Fe,Cr,C', you will notice that this kind of error only occurs for more exotic phases

A bit about thermodynamics of solutions

See these lecture notes by Pr HKDH Bhadeshia for thermodynamics basis.

The best reference I found so far is CALPHAD, a comprehensive guide, Saunders and Miodownik, Pergamon Pres.


PT-group 2003 Thomas Sourmail, Cambridge. Please email feedback !