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
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Дата последнего поиска статьи во внешних источниках: 1 апреля 2017 г.
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.