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Calculation of the phase diagram of the TiZr alloy and investigation of the tendency toward separation of the omega phaseстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 1 апреля 2017 г.
- Авторы: Trubitsin V.Yu, Dolgusheva E.B.
- Журнал: Physics of the Solid State
- Том: 53
- Номер: 2
- Год издания: 2011
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 223
- Последняя страница: 228
- DOI: 10.1134/S1063783411020326
- Аннотация: The electronic, structural, and thermodynamic properties of the TiZr equiatomic alloy have been calculated in terms of the electron density functional theory and Debye-Gruneisen model. The calculated lattice parameters a and c/a agree well with experimental data for the alpha, omega, and beta phases. It has been shown that the omega phase is stable at atmospheric pressure and low temperatures, and it remains energetically more favorable up to T = 600 K. In the temperature range 600 K < T < 900 K, the alpha phase becomes stable, and above 900 K, the beta phase of the TiZr alloy is stable. The phase diagram constructed in this study agrees qualitatively with the available experimental data. A tendency toward separation of the TiZr equiatomic alloy in the omega phase has been analyzed. It has been demonstrated that, in the ground state, the TiZr equiatomic alloy in the omega phase exhibits a tendency toward ordering rather than toward phase separation.
- Добавил в систему: Трубицын Виктор Юрьевич