I want to calculate APB energy for superalloys, I am looking for a solution to it. Kindly share if it can be done by Thermocalc or if any model can predict it.
You likely refer to the antiphase boundary energy. The direct answer is according to my knowledge: no. It might, however, be the case that phase field programs working in association with Thermocalc do the following: To calculate an APB energy based on a pair interaction model. Within the compound energy formalism used to mimic a Gorsky-Bragg-Williams model (look for work by Sundman and also by Dupin) as used in many Calphad-like databases the parameters can be correlated with pair interaction energies, which, in turn, can also be used to calculate APB energies. If you know the thermodynamic model you can do that by yourself. Note, however, since short range order is not considered in the GBW-like models, the pair interaction energies are biased. Hence, there are approaches to estimate the APB energies based on pair interaction energies evaluated by the cluster-variation method. Do a corresponding scholar search and look for papers, better older ones, because nowadays APB energies are mostly calculated by DFT method, and this is apparently not what you are looking for.