An effective algorithm to identify the miscibility gap in a binary substitutional solution phase
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 ter...
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| Format: | Article |
| Language: | English |
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University of Belgrade, Technical Faculty, Bor
2020-01-01
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| Series: | Journal of Mining and Metallurgy. Section B: Metallurgy |
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| Online Access: | http://www.doiserbia.nb.rs/img/doi/1450-5339/2020/1450-53392000004F.pdf |
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| author | Fu T. Du Y. Zheng Z.-S. Peng Y.-B. Jin B. Liu Y.-B Du C.-F. Liu S.-H. Shi C.-Y. Wang J. |
| author_facet | Fu T. Du Y. Zheng Z.-S. Peng Y.-B. Jin B. Liu Y.-B Du C.-F. Liu S.-H. Shi C.-Y. Wang J. |
| author_sort | Fu T. |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-acff8a86a380436781bbf09eb826ae21 |
| institution | Kabale University |
| issn | 1450-5339 2217-7175 |
| language | English |
| publishDate | 2020-01-01 |
| publisher | University of Belgrade, Technical Faculty, Bor |
| record_format | Article |
| series | Journal of Mining and Metallurgy. Section B: Metallurgy |
| spelling | doaj-art-acff8a86a380436781bbf09eb826ae212025-02-02T16:37:46ZengUniversity of Belgrade, Technical Faculty, BorJournal of Mining and Metallurgy. Section B: Metallurgy1450-53392217-71752020-01-0156218319110.2298/JMMB190916004F1450-53392000004FAn effective algorithm to identify the miscibility gap in a binary substitutional solution phaseFu T.0Du Y.1Zheng Z.-S.2Peng Y.-B.3Jin B.4Liu Y.-B5Du C.-F.6Liu S.-H.7Shi C.-Y.8Wang J.9School of Mathematics and Statistics, Central South University, Changsha, Hunan, ChinaState Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, ChinaSchool of Mathematics and Statistics, Central South University, Changsha, Hunan, ChinaCollege of Metallurgy and Materials Engineering, Hunan University of Technology, Zhuzhou, Hunan, ChinaState Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, ChinaState Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, ChinaSchool of Mathematics and Statistics, Central South University, Changsha, Hunan, ChinaState Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, ChinaState Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, ChinaState Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan, ChinaIn 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.http://www.doiserbia.nb.rs/img/doi/1450-5339/2020/1450-53392000004F.pdfcomputational thermodynamicsequilibrium calculationsphase diagrammiscibility gapalgorithm |
| spellingShingle | Fu T. Du Y. Zheng Z.-S. Peng Y.-B. Jin B. Liu Y.-B Du C.-F. Liu S.-H. Shi C.-Y. Wang J. An effective algorithm to identify the miscibility gap in a binary substitutional solution phase Journal of Mining and Metallurgy. Section B: Metallurgy computational thermodynamics equilibrium calculations phase diagram miscibility gap algorithm |
| title | An effective algorithm to identify the miscibility gap in a binary substitutional solution phase |
| title_full | An effective algorithm to identify the miscibility gap in a binary substitutional solution phase |
| title_fullStr | An effective algorithm to identify the miscibility gap in a binary substitutional solution phase |
| title_full_unstemmed | An effective algorithm to identify the miscibility gap in a binary substitutional solution phase |
| title_short | An effective algorithm to identify the miscibility gap in a binary substitutional solution phase |
| title_sort | effective algorithm to identify the miscibility gap in a binary substitutional solution phase |
| topic | computational thermodynamics equilibrium calculations phase diagram miscibility gap algorithm |
| url | http://www.doiserbia.nb.rs/img/doi/1450-5339/2020/1450-53392000004F.pdf |
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