An approach to determine enthalpies of formation for ternary compounds
An integrated approach of experiment and theoretical computation to acquire enthalpies of formation for ternary compounds is described. The enthalpies of formation (DHf ) for Al71Fe19Si10 and Al31Mn6Ni2 are measured via a calorimeter. Miedema model, CALPHAD and first-principles method are employed t...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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University of Belgrade, Technical Faculty, Bor
2010-01-01
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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/1450-5339/2010/1450-53391001001D.pdf |
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| author | Du Y. Wang J. Ouyang Y.F. Zhang L.J. Yuan Z.H. Liu S.H. Nash P. |
| author_facet | Du Y. Wang J. Ouyang Y.F. Zhang L.J. Yuan Z.H. Liu S.H. Nash P. |
| author_sort | Du Y. |
| collection | DOAJ |
| description | An integrated approach of experiment and theoretical computation to acquire enthalpies of formation for ternary compounds is described. The enthalpies of formation (DHf ) for Al71Fe19Si10 and Al31Mn6Ni2 are measured via a calorimeter. Miedema model, CALPHAD and first-principles method are employed to calculate DHf for the above compounds and several Al-based ternary compounds. It is found that first-principles generated data yield good agreements with experimental values and thus can be used as key 'experimental data', which are needed for CALPHAD approach. |
| format | Article |
| id | doaj-art-8e2c5e03086c41a687a13357af3889e6 |
| institution | Kabale University |
| issn | 1450-5339 |
| language | English |
| publishDate | 2010-01-01 |
| publisher | University of Belgrade, Technical Faculty, Bor |
| record_format | Article |
| series | Journal of Mining and Metallurgy. Section B: Metallurgy |
| spelling | doaj-art-8e2c5e03086c41a687a13357af3889e62025-02-02T14:25:56ZengUniversity of Belgrade, Technical Faculty, BorJournal of Mining and Metallurgy. Section B: Metallurgy1450-53392010-01-014611910.2298/JMMB1001001DAn approach to determine enthalpies of formation for ternary compoundsDu Y.Wang J.Ouyang Y.F.Zhang L.J.Yuan Z.H.Liu S.H.Nash P.An integrated approach of experiment and theoretical computation to acquire enthalpies of formation for ternary compounds is described. The enthalpies of formation (DHf ) for Al71Fe19Si10 and Al31Mn6Ni2 are measured via a calorimeter. Miedema model, CALPHAD and first-principles method are employed to calculate DHf for the above compounds and several Al-based ternary compounds. It is found that first-principles generated data yield good agreements with experimental values and thus can be used as key 'experimental data', which are needed for CALPHAD approach.http://www.doiserbia.nb.rs/img/doi/1450-5339/2010/1450-53391001001D.pdfaluminum alloysintermetallic compoundsfirst-principle calculationsCALPHADcalorimetry |
| spellingShingle | Du Y. Wang J. Ouyang Y.F. Zhang L.J. Yuan Z.H. Liu S.H. Nash P. An approach to determine enthalpies of formation for ternary compounds Journal of Mining and Metallurgy. Section B: Metallurgy aluminum alloys intermetallic compounds first-principle calculations CALPHAD calorimetry |
| title | An approach to determine enthalpies of formation for ternary compounds |
| title_full | An approach to determine enthalpies of formation for ternary compounds |
| title_fullStr | An approach to determine enthalpies of formation for ternary compounds |
| title_full_unstemmed | An approach to determine enthalpies of formation for ternary compounds |
| title_short | An approach to determine enthalpies of formation for ternary compounds |
| title_sort | approach to determine enthalpies of formation for ternary compounds |
| topic | aluminum alloys intermetallic compounds first-principle calculations CALPHAD calorimetry |
| url | http://www.doiserbia.nb.rs/img/doi/1450-5339/2010/1450-53391001001D.pdf |
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