A Cluster-Based Computational Thermodynamics Framework with Intrinsic Chemical Short-Range Order: Part I. Configurational Contribution

This work is the foundation of the CVM-CALPHAD project, basically, we deeply observed Chen-Ning Yang’s original work and understood the principle from his method to deal with cluster-level mean-field method to deal with thermodynamics. The key is to use the so-called FYL-transform to reduce the number of variables. We also propose a unified theoretical framework to make this relation clearer and unify the CVM, CSA and FYL-CVM. This simplified model would benefit the CALPHAD modeling with intrinsic short-range order.