TY - JOUR
T2 - Journal of Mining and Metallurgy, Section B: Metallurgy
TI - An effective algorithm to identify the miscibility gap in a binary substitutional solution phase
VL - 56
IS - 2
SP - 183
EP - 191
PY - 2020
DO - 10.2298/JMMB190916004F
AU - T.-B. Fu
AU - Y. Du
AU - Z.-S. Zheng
AU - Y.-B. Peng
AU - B. Jin
AU - Y.-L. Liu
AU - C.-F. Du
AU - S.-H. Liu
AU - C.-Y. Shi"
AD - a School of Mathematics and Statistics, Central South University, Changsha, Hunan, China b State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, China c College of Metallurgy and Materials Engineering, Hunan University of Technology, Zhuzhou, Hunan, China
AB - 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.
KW - Computational thermodynamics
KW - Equilibrium calculations
KW - Phase diagram
KW - Miscibility gap
KW - Algorithm
N1 - Correspondence Address: Y. Du, b State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, China email: yong-du@csu.edu.cn Z.-S. Zheng, a School of Mathematics and Statistics, Central South University, Changsha, Hunan, China email: zszheng@csu.edu.cn
N1 - J. Min. Metall. Sect. B-Metall. 56 (2) B (2020) 183-191. DOI:10.2298/JMMB190916004F
PB - Technical Faculty in Bor
SN - 14505339 (ISSN)
LA - English
J2 - J. Min. Metall. Sect. B Metall.
M3 - Article
ER