Open AccessAn effective algorithm to identify the miscibility gap in a binary substitutional solution phase
Author(s) -
Taibai Fu,
Yong Du,
Zhi Zheng,
Yingbiao Peng,
Jin Bo,
Y.-B Liu,
Cunbin Du,
S.-H. Liu,
Chenying Shi,
Jun Wang
Publication year - 2020
Publication title -
journal of mining and metallurgy. section b, metallurgy/journal of mining and metallurgy. section b, metallurgy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.42
H-Index - 20
eISSN - 2217-7175
pISSN - 1450-5339
DOI - 10.2298/jmmb190916004f
Subject(s) - miscibility , spinodal decomposition , binary number , thermodynamics , phase (matter) , phase diagram , statistical physics , gibbs free energy , work (physics) , range (aeronautics) , flory–huggins solution theory , energy (signal processing) , set (abstract data type) , materials science , interaction energy , mathematics , physics , computer science , statistics , quantum mechanics , molecule , arithmetic , composite material , programming language , polymer
In the literature, no detailed description is reported about how to detect if a miscibility gap exists in terms of interaction parameters analytically. In this work, a method to determine the likelihood of the presence of a miscibility gap in a binary substitutional solution phase is proposed in terms of interaction parameters. The range of the last interaction parameter along with the former parameters is analyzed for a set of self-consistent parameters associated with the miscibility gap in assessment process. Furthermore, we deduce the first and second derivatives of Gibbs energy with respect to composition for a phase described with a sublattice model in a binary system. The Al-Zn and Al-In phase diagrams are computed by using a home-made code to verify the efficiency of these techniques. The method to detect the miscibility gap in terms of interaction parameters can be generalized to sublattice models. At last, a system of equations is developed to efficiently compute the Gibbs energy curve of a phase described with a sublattice model.