Modelling of Epitaxial Growth of Diamond Crystals in High-Carbon Fe—Al Alloys
Standard enthalpies of formation of different K-phase unit cells are calculated and compared with formation enthalpy of modified unit cell of K-phase. Spin-polarized calculations are performed to compare electronic structure of carbon atoms in K-phase substrate, diamond, and graphite. An assumpti...
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| Datum: | 2013 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут металофізики ім. Г.В. Курдюмова НАН України
2013
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| Schriftenreihe: | Наносистеми, наноматеріали, нанотехнології |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/75896 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Modelling of Epitaxial Growth of Diamond Crystals in High-Carbon Fe—Al Alloys / A.A. Mekhed, V.A. Andryushchenko // Наносистеми, наноматеріали, нанотехнології: Зб. наук. пр. — К.: РВВ ІМФ, 2013. — Т. 11, № 1. — С. 33-38. — Бібліогр.: 4 назв. — анг. |
Institution
Digital Library of Periodicals of National Academy of Sciences of Ukraine| Zusammenfassung: | Standard enthalpies of formation of different K-phase unit cells are calculated
and compared with formation enthalpy of modified unit cell of K-phase.
Spin-polarized calculations are performed to compare electronic structure of
carbon atoms in K-phase substrate, diamond, and graphite. An assumption is
made on the epitaxial growth of the diamond crystals during the thermobaric
treatment of high-carbon Fe—Al alloys. |
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