First-principles calculations atomic structure and elastic properties of Ti-Nb alloys
Elastic properties of Ti based (3-alloy were studied by the method of the model structure first principle calculations. Concentrational dependence of Young modulus for the binary (3-alloy Ti₁₋ₓNbₓ was discovered. It is shown that peculiarities visible at 0.15 - 0.18 a.u. concentrations can be relate...
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| Published in: | Functional Materials |
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| Date: | 2012 |
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| Format: | Article |
| Language: | English |
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НТК «Інститут монокристалів» НАН України
2012
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| Online Access: | https://nasplib.isofts.kiev.ua/handle/123456789/135306 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | First-principles calculations atomic structure and elastic properties of Ti-Nb alloys / A.N. Timoshevskii, S.O. Yablonovskii, O.M. Ivasishin // Functional Materials. — 2012. — Т. 19, № 2. — С. 266-271. — Бібліогр.: 15 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862739417690537984 |
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| author | Timoshevskii, A.N. Yablonovskii, S.O. Ivasishin, O.M. |
| author_facet | Timoshevskii, A.N. Yablonovskii, S.O. Ivasishin, O.M. |
| citation_txt | First-principles calculations atomic structure and elastic properties of Ti-Nb alloys / A.N. Timoshevskii, S.O. Yablonovskii, O.M. Ivasishin // Functional Materials. — 2012. — Т. 19, № 2. — С. 266-271. — Бібліогр.: 15 назв. — англ. |
| collection | DSpace DC |
| container_title | Functional Materials |
| description | Elastic properties of Ti based (3-alloy were studied by the method of the model structure first principle calculations. Concentrational dependence of Young modulus for the binary (3-alloy Ti₁₋ₓNbₓ was discovered. It is shown that peculiarities visible at 0.15 - 0.18 a.u. concentrations can be related to the different Nb atoms distribution. Detailed comparison of the calculation results with the measurement results was done. Youngs modulus for the set of the ordered structures with different Nb atoms location, which simulate triple β-alloys Ti₀.₅₁₈Zr₀.₂₉₇Nb₀.₁₈₅ and Ti₀.₂₉₇Zr₀.₅₁₈Nb₀.₁₈₅ have been calculated. The results of these calculations allowed us to suggest the concentration region for single-phase ternary β-phase alloys possessing low values of Young’s modulus.
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| first_indexed | 2025-12-07T20:08:50Z |
| format | Article |
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| id | nasplib_isofts_kiev_ua-123456789-135306 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1027-5495 |
| language | English |
| last_indexed | 2025-12-07T20:08:50Z |
| publishDate | 2012 |
| publisher | НТК «Інститут монокристалів» НАН України |
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| spelling | Timoshevskii, A.N. Yablonovskii, S.O. Ivasishin, O.M. 2018-06-14T18:47:33Z 2018-06-14T18:47:33Z 2012 First-principles calculations atomic structure and elastic properties of Ti-Nb alloys / A.N. Timoshevskii, S.O. Yablonovskii, O.M. Ivasishin // Functional Materials. — 2012. — Т. 19, № 2. — С. 266-271. — Бібліогр.: 15 назв. — англ. 1027-5495 https://nasplib.isofts.kiev.ua/handle/123456789/135306 Elastic properties of Ti based (3-alloy were studied by the method of the model structure first principle calculations. Concentrational dependence of Young modulus for the binary (3-alloy Ti₁₋ₓNbₓ was discovered. It is shown that peculiarities visible at 0.15 - 0.18 a.u. concentrations can be related to the different Nb atoms distribution. Detailed comparison of the calculation results with the measurement results was done. Youngs modulus for the set of the ordered structures with different Nb atoms location, which simulate triple β-alloys Ti₀.₅₁₈Zr₀.₂₉₇Nb₀.₁₈₅ and Ti₀.₂₉₇Zr₀.₅₁₈Nb₀.₁₈₅ have been calculated. The results of these calculations allowed us to suggest the concentration region for single-phase ternary β-phase alloys possessing low values of Young’s modulus. en НТК «Інститут монокристалів» НАН України Functional Materials Modeling and simulation First-principles calculations atomic structure and elastic properties of Ti-Nb alloys Першопринципне моделювання атомної структури і пружних властивостей сплавів Ti-Nb Article published earlier |
| spellingShingle | First-principles calculations atomic structure and elastic properties of Ti-Nb alloys Timoshevskii, A.N. Yablonovskii, S.O. Ivasishin, O.M. Modeling and simulation |
| title | First-principles calculations atomic structure and elastic properties of Ti-Nb alloys |
| title_alt | Першопринципне моделювання атомної структури і пружних властивостей сплавів Ti-Nb |
| title_full | First-principles calculations atomic structure and elastic properties of Ti-Nb alloys |
| title_fullStr | First-principles calculations atomic structure and elastic properties of Ti-Nb alloys |
| title_full_unstemmed | First-principles calculations atomic structure and elastic properties of Ti-Nb alloys |
| title_short | First-principles calculations atomic structure and elastic properties of Ti-Nb alloys |
| title_sort | first-principles calculations atomic structure and elastic properties of ti-nb alloys |
| topic | Modeling and simulation |
| topic_facet | Modeling and simulation |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/135306 |
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