Ab-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N system
The ternary Ti-Mo-N system is an important material used as a surface coating, hardener, and wear and corrosion protection layer. Knowledge of the phase equilibria, phase transformations, and phase stabilities of this alloy is important to realizeits potential applications. In this paper, formation...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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University of Belgrade, Technical Faculty, Bor
2023-01-01
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| Series: | Journal of Mining and Metallurgy. Section B: Metallurgy |
| Subjects: | |
| Online Access: | https://doiserbia.nb.rs/img/doi/1450-5339/2023/1450-53392300011D.pdf |
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| author | Daclan R.A. Mena M.G. Vasquez M.R. Gierlotka W. |
| author_facet | Daclan R.A. Mena M.G. Vasquez M.R. Gierlotka W. |
| author_sort | Daclan R.A. |
| collection | DOAJ |
| description | The ternary Ti-Mo-N system is an important material used as a surface coating, hardener, and wear and corrosion protection layer. Knowledge of the phase equilibria, phase transformations, and phase stabilities of this alloy is important to realizeits potential applications. In this paper, formation energies of three intermetallic compounds, Mo2N-beta, Mo2Ngamma, and MoN-delta, were determined by ab-initio calculations.Then , the Calphad approach was applied to thermodynamically model the Mo-Ti, Mo-N, and Mo-Ti-N systems. The obtained Gibbs energies were used to calculate the phase diagram and thermodynamic properties of the Ti-Mo-N system. The present model is in good agreement with experimental data reported in the literature. The results of this work can be used as a basis for future investigations of the Ti-Mo-N system, as well as a basis for practical industrial applications. |
| format | Article |
| id | doaj-art-a08b7bcfcc124047a094f1e68a3d5135 |
| institution | Kabale University |
| issn | 1450-5339 2217-7175 |
| language | English |
| publishDate | 2023-01-01 |
| publisher | University of Belgrade, Technical Faculty, Bor |
| record_format | Article |
| series | Journal of Mining and Metallurgy. Section B: Metallurgy |
| spelling | doaj-art-a08b7bcfcc124047a094f1e68a3d51352025-02-03T06:31:09ZengUniversity of Belgrade, Technical Faculty, BorJournal of Mining and Metallurgy. Section B: Metallurgy1450-53392217-71752023-01-0159112513610.2298/JMMB210330011D1450-53392300011DAb-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N systemDaclan R.A.0Mena M.G.1Vasquez M.R.2Gierlotka W.3Department of Mining, Metallurgical, and Materials Engineering, College of Engineering, University of the Philippines-Diliman, PhilippinesDepartment of Mining, Metallurgical, and Materials Engineering, College of Engineering, University of the Philippines-Diliman, PhilippinesDepartment of Mining, Metallurgical, and Materials Engineering, College of Engineering, University of the Philippines-Diliman, PhilippinesMaterials Science and Engineering Department, National Dong Hwa University, TaiwanThe ternary Ti-Mo-N system is an important material used as a surface coating, hardener, and wear and corrosion protection layer. Knowledge of the phase equilibria, phase transformations, and phase stabilities of this alloy is important to realizeits potential applications. In this paper, formation energies of three intermetallic compounds, Mo2N-beta, Mo2Ngamma, and MoN-delta, were determined by ab-initio calculations.Then , the Calphad approach was applied to thermodynamically model the Mo-Ti, Mo-N, and Mo-Ti-N systems. The obtained Gibbs energies were used to calculate the phase diagram and thermodynamic properties of the Ti-Mo-N system. The present model is in good agreement with experimental data reported in the literature. The results of this work can be used as a basis for future investigations of the Ti-Mo-N system, as well as a basis for practical industrial applications.https://doiserbia.nb.rs/img/doi/1450-5339/2023/1450-53392300011D.pdfab-initiocalphadmotinphase diagram |
| spellingShingle | Daclan R.A. Mena M.G. Vasquez M.R. Gierlotka W. Ab-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N system Journal of Mining and Metallurgy. Section B: Metallurgy ab-initio calphad mo ti n phase diagram |
| title | Ab-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N system |
| title_full | Ab-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N system |
| title_fullStr | Ab-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N system |
| title_full_unstemmed | Ab-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N system |
| title_short | Ab-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N system |
| title_sort | ab initio combined the calphad approach to the phase equilibria in the ternary ti mo n system |
| topic | ab-initio calphad mo ti n phase diagram |
| url | https://doiserbia.nb.rs/img/doi/1450-5339/2023/1450-53392300011D.pdf |
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