Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system
The three- sub-lattice model (3SLM) for description of atom’s distribution of two components with different coordination numbers (12, 14 and 15), into s-phase structure depended on composition and temperature is depictured in this paper. Energetic parameters of 3SLM were calculated by fitting pro...
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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/1450-5339/2012/1450-53391200060U.pdf |
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| author | Udovskya A. Kupavtseva M. |
| author_facet | Udovskya A. Kupavtseva M. |
| author_sort | Udovskya A. |
| collection | DOAJ |
| description | The three- sub-lattice model (3SLM) for description of atom’s distribution of two components with different coordination numbers (12, 14 and 15), into s-phase structure depended on composition and temperature is depictured in this paper. Energetic parameters of 3SLM were calculated by fitting procedure fixed to results obtained by ab-initio calculations conducted for paramagnetic states of differently ordered complexes stayed at the sigma-phase’s crystal structure for Fe-Cr system at 0 K. Respective algorithm and computer program have allowed to calculate an atom distribution of components upon the sub-lattices of s-phase at 300 - 1100 K. There is satisfactory agreement between calculated results and the experimental data obtained by neutron and structural research methods. Obtained results demonstrate satisfactory agreement between calculated and experimental data of BCC solutions and sigma - phase of the Fe-Cr system stayed at an equilibrium state. |
| format | Article |
| id | doaj-art-0a73ef98fa2240b1a65201e940bf9d44 |
| 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-0a73ef98fa2240b1a65201e940bf9d442025-02-03T02:01:13ZengUniversity of Belgrade, Technical Faculty, BorJournal of Mining and Metallurgy. Section B: Metallurgy1450-53392012-01-0148348348910.2298/JMMB121130060UModeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr systemUdovskya A.Kupavtseva M.The three- sub-lattice model (3SLM) for description of atom’s distribution of two components with different coordination numbers (12, 14 and 15), into s-phase structure depended on composition and temperature is depictured in this paper. Energetic parameters of 3SLM were calculated by fitting procedure fixed to results obtained by ab-initio calculations conducted for paramagnetic states of differently ordered complexes stayed at the sigma-phase’s crystal structure for Fe-Cr system at 0 K. Respective algorithm and computer program have allowed to calculate an atom distribution of components upon the sub-lattices of s-phase at 300 - 1100 K. There is satisfactory agreement between calculated results and the experimental data obtained by neutron and structural research methods. Obtained results demonstrate satisfactory agreement between calculated and experimental data of BCC solutions and sigma - phase of the Fe-Cr system stayed at an equilibrium state.http://www.doiserbia.nb.rs/img/doi/1450-5339/2012/1450-53391200060U.pdfstructural propertiesthermodynamicsphase diagrammodelingsigma-phaseFe-Cr alloys |
| spellingShingle | Udovskya A. Kupavtseva M. Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system Journal of Mining and Metallurgy. Section B: Metallurgy structural properties thermodynamics phase diagram modeling sigma-phase Fe-Cr alloys |
| title | Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system |
| title_full | Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system |
| title_fullStr | Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system |
| title_full_unstemmed | Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system |
| title_short | Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system |
| title_sort | modeling of structural and thermodynamics properties of sigma phase for the fe cr system |
| topic | structural properties thermodynamics phase diagram modeling sigma-phase Fe-Cr alloys |
| url | http://www.doiserbia.nb.rs/img/doi/1450-5339/2012/1450-53391200060U.pdf |
| work_keys_str_mv | AT udovskyaa modelingofstructuralandthermodynamicspropertiesofsigmaphaseforthefecrsystem AT kupavtsevam modelingofstructuralandthermodynamicspropertiesofsigmaphaseforthefecrsystem |