Расчеты механических свойств β-титановых сплавов из первых принципов
The mechanical properties of Ti-X alloys (X = V, Nb) with BCC structure were calculated by the exact muffin-tin orbital method within the density functional theory. It is shown that the elastic moduli C11 and C12 are increased but C44 is decreased with an increased V or Nb content in the β-Ti based...
| Published in: | Перспективы развития фундаментальных наук. Т. 1 : сборник научных трудов XX Международной конференции студентов, аспирантов и молодых ученых, 25-28 апреля 2023 г. Т. 1 : Физика. С. 186-188 |
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| Other Authors: | |
| Format: | Book Chapter |
| Language: | Russian |
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| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001147174 |
| Summary: | The mechanical properties of Ti-X alloys (X = V, Nb) with BCC structure were calculated by the exact muffin-tin orbital method within the density functional theory. It is shown that the elastic moduli C11 and C12 are increased but C44 is decreased with an increased V or Nb content in the β-Ti based alloy. Undoped β-Ti and alloy doped with V and Nb up to 3–4 at. % is found to be mechanical unstable due to negative value of C'. The obtained results are in good agreement with experimental data. |
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| Bibliography: | Библиогр.: 5 назв. |
| ISBN: | 9785438711377 9785438711360 |