Hello,
I am working on the thermodynamics properties of a ternary system. I now want to get the free energy of the phases in this system. I already fitted a good cluster expansion by using ATAT, and a chempot.out file is generated, contains special values of the chemical potential that stabilize various types of equilibria. I know these values are useful guidelines to select relevant regions in mu-space to scan. But I am still confused how to set this mu-space? For example, I have several sub three-phase equilibria in this system, and each has its own chemical potential. How do I set the mu-space in order to get the free energy of one phase on the intersection of adjacent three triangles?
I will really appreciate an answer to this question.
Kind regards,
Sha