Re: Phase Field - Quaternary Alloy System - Spinodal Decomposition coupled with ThermoCalc tables.
Daniel Schwen
--Hi there!
I’m interested in using MOOSE for solving phase field models and for the last few weeks I have been going through most of the examples in the phase field model page. I wanted to use some thermodynamic data that I have for a quaternary system following the spinodal decomposition tutorial, modifying it to work with 3 independent components.
I had no difficulties adapting the tutorial input file to make it work with a given formulation of the free energy f_loc(c1,c2,c3) where the derivatives were taken automatically with DerivativeParsedMaterial and the model was solved using a SpliCHParsed kernel, just like the example.
Since I also have a table with calphad gibbs free energies and their derivatives for different compositions generated with ThermoCalc for this system. I want now, to try to incorporate this somehow to my spinodal decomposition simulations.
So far, all my attempts have failed. The last thing I was trying was to modify MathFreeEnergy to import the tables there, take the compositions and search the tables in order to return ComputeDF/ComputeD2F. But it seems that the output from MathFreeEnergy(f_loc) don’t communicate well as a input for SpliCHParsed.
The compositions are evolving over time, but they don't seem to be complementary as they should be.
Where the codes that I have for MATLAB using a similar approach and also free energy and its derivatives from ThermoCalc tables will result in these:
Have anyone tried something similar before or have some ideas on what I could be doing wrong?
In one of the workshop presentations there is a slide mentioning a CalphadBaseMaterial framework, but I can't find it in the repository. Is there a way to get this file?
All suggestions are welcomed and appreciated.
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