Thermodynamic measurements and ab initio calculations of the indium-lithium system
The limiting enthalpy of the solution of liquid indium in liquid tin was measured at 723 K. The calorimetric method was applied to determine the standard enthalpy of the formation of intermetallic phases and alloys from the In-Li system. The measurements were done at 747 K and 756 K. The structures...
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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 |
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| Online Access: | https://doiserbia.nb.rs/img/doi/1450-5339/2023/1450-53392300035D.pdf |
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| author | Dębski A. Gierlotka W. Zabrocki M. Góral A. Gąsior W. |
| author_facet | Dębski A. Gierlotka W. Zabrocki M. Góral A. Gąsior W. |
| author_sort | Dębski A. |
| collection | DOAJ |
| description | The limiting enthalpy of the solution of liquid indium in liquid tin was measured at 723 K. The calorimetric method was applied to determine the standard enthalpy of the formation of intermetallic phases and alloys from the In-Li system. The measurements were done at 747 K and 756 K. The structures of prepared alloys were confirmed by the X-ray diffraction measurements. Besides that, the ab initio calculations allowed the modeling of the formation energies, the volume thermal expansion, the heat capacity under constant pressure, and the elastic properties of the intermetallic phases. The theoretical formation energies show good agreement with the experimental findings. The analysis of the phonon dispersion indicates an instability of the InLi phase in the Fd-3m space group. A further investigation on the atomic arrangement in the case of the equiatomic ratio is suggested. |
| format | Article |
| id | doaj-art-43edbc6f1ff347a0a22b7eb4bd57b06c |
| 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-43edbc6f1ff347a0a22b7eb4bd57b06c2025-02-02T05:24:28ZengUniversity of Belgrade, Technical Faculty, BorJournal of Mining and Metallurgy. Section B: Metallurgy1450-53392217-71752023-01-0159340742010.2298/JMMB230706035D1450-53392300035DThermodynamic measurements and ab initio calculations of the indium-lithium systemDębski A.0Gierlotka W.1Zabrocki M.2Góral A.3Gąsior W.4Institute of Metallurgy and Materials Science, Polish Academy of Sciences, Kraków, PolandNational Dong Hwa University, Materials Science and Engineering Department, Hualien, TaiwanInstitute of Metallurgy and Materials Science, Polish Academy of Sciences, Kraków, PolandInstitute of Metallurgy and Materials Science, Polish Academy of Sciences, Kraków, PolandInstitute of Metallurgy and Materials Science, Polish Academy of Sciences, Kraków, PolandThe limiting enthalpy of the solution of liquid indium in liquid tin was measured at 723 K. The calorimetric method was applied to determine the standard enthalpy of the formation of intermetallic phases and alloys from the In-Li system. The measurements were done at 747 K and 756 K. The structures of prepared alloys were confirmed by the X-ray diffraction measurements. Besides that, the ab initio calculations allowed the modeling of the formation energies, the volume thermal expansion, the heat capacity under constant pressure, and the elastic properties of the intermetallic phases. The theoretical formation energies show good agreement with the experimental findings. The analysis of the phonon dispersion indicates an instability of the InLi phase in the Fd-3m space group. A further investigation on the atomic arrangement in the case of the equiatomic ratio is suggested.https://doiserbia.nb.rs/img/doi/1450-5339/2023/1450-53392300035D.pdfintermetallicsthermodynamic propertiescalorimetryx-ray diffractionab initio calculationsphononselastic properties |
| spellingShingle | Dębski A. Gierlotka W. Zabrocki M. Góral A. Gąsior W. Thermodynamic measurements and ab initio calculations of the indium-lithium system Journal of Mining and Metallurgy. Section B: Metallurgy intermetallics thermodynamic properties calorimetry x-ray diffraction ab initio calculations phonons elastic properties |
| title | Thermodynamic measurements and ab initio calculations of the indium-lithium system |
| title_full | Thermodynamic measurements and ab initio calculations of the indium-lithium system |
| title_fullStr | Thermodynamic measurements and ab initio calculations of the indium-lithium system |
| title_full_unstemmed | Thermodynamic measurements and ab initio calculations of the indium-lithium system |
| title_short | Thermodynamic measurements and ab initio calculations of the indium-lithium system |
| title_sort | thermodynamic measurements and ab initio calculations of the indium lithium system |
| topic | intermetallics thermodynamic properties calorimetry x-ray diffraction ab initio calculations phonons elastic properties |
| url | https://doiserbia.nb.rs/img/doi/1450-5339/2023/1450-53392300035D.pdf |
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