Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems
The Na-X (X = Si, Ag, Cu, Cr) systems have been critically reviewed and modeled by means of the CALPHAD approach. The two compounds, NaSi and Ag2Na, are treated as stoichiometric ones. By means of first-principles calculations, the enthalpies of formation at 0 K for the LT-NaSi (low temperature...
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| Format: | Article |
| Language: | English |
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University of Belgrade, Technical Faculty, Bor
2012-01-01
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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/1450-5339/2012/1450-53391200024H.pdf |
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| author | Hao D. Bu M. Wang Y. Tang Y. Gao Q. Wang M. Hu B. Du Y. |
| author_facet | Hao D. Bu M. Wang Y. Tang Y. Gao Q. Wang M. Hu B. Du Y. |
| author_sort | Hao D. |
| collection | DOAJ |
| description | The Na-X (X = Si, Ag, Cu, Cr) systems have been critically reviewed and modeled by means of the CALPHAD approach. The two compounds, NaSi and Ag2Na, are treated as stoichiometric ones. By means of first-principles calculations, the enthalpies of formation at 0 K for the LT-NaSi (low temperature form of NaSi) and Ag2Na have been computed to be -5210 and -29821.8 Jmol-1, respectively, with the desire to assist thermodynamic modeling. One set of self-consistent thermodynamic parameters is obtained for each of these binary systems. Comparisons between calculated and measured phase diagrams show that most of the experimental information can be satisfactorily accounted for by the present thermodynamic descriptions. |
| format | Article |
| id | doaj-art-2d140efc6c9b4bb5b23678c656d2efff |
| institution | Kabale University |
| issn | 1450-5339 |
| language | English |
| publishDate | 2012-01-01 |
| publisher | University of Belgrade, Technical Faculty, Bor |
| record_format | Article |
| series | Journal of Mining and Metallurgy. Section B: Metallurgy |
| spelling | doaj-art-2d140efc6c9b4bb5b23678c656d2efff2025-02-03T02:25:41ZengUniversity of Belgrade, Technical Faculty, BorJournal of Mining and Metallurgy. Section B: Metallurgy1450-53392012-01-0148227328210.2298/JMMB120113024HThermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systemsHao D.Bu M.Wang Y.Tang Y.Gao Q.Wang M.Hu B.Du Y.The Na-X (X = Si, Ag, Cu, Cr) systems have been critically reviewed and modeled by means of the CALPHAD approach. The two compounds, NaSi and Ag2Na, are treated as stoichiometric ones. By means of first-principles calculations, the enthalpies of formation at 0 K for the LT-NaSi (low temperature form of NaSi) and Ag2Na have been computed to be -5210 and -29821.8 Jmol-1, respectively, with the desire to assist thermodynamic modeling. One set of self-consistent thermodynamic parameters is obtained for each of these binary systems. Comparisons between calculated and measured phase diagrams show that most of the experimental information can be satisfactorily accounted for by the present thermodynamic descriptions.http://www.doiserbia.nb.rs/img/doi/1450-5339/2012/1450-53391200024H.pdfNa-X (X = SiAgCuCr)phase diagramCALPHADfirst-principles calculations |
| spellingShingle | Hao D. Bu M. Wang Y. Tang Y. Gao Q. Wang M. Hu B. Du Y. Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems Journal of Mining and Metallurgy. Section B: Metallurgy Na-X (X = Si Ag Cu Cr ) phase diagram CALPHAD first-principles calculations |
| title | Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems |
| title_full | Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems |
| title_fullStr | Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems |
| title_full_unstemmed | Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems |
| title_short | Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems |
| title_sort | thermodynamic modeling of the na x x si ag cu cr systems |
| topic | Na-X (X = Si Ag Cu Cr ) phase diagram CALPHAD first-principles calculations |
| url | http://www.doiserbia.nb.rs/img/doi/1450-5339/2012/1450-53391200024H.pdf |
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