This article is cited in
6 papers
Metals
Calculation of the phase diagram of the TiZr alloy and investigation of the tendency toward separation of the $\omega$ phase
V. Yu. Trubitsin,
E. B. Dolgusheva Physical-Technical Institute of the Ural Branch of the Russian Academy of Sciences, Izhevsk
Abstract:
The electronic, structural, and thermodynamic properties of the TiZr equiatomic alloy have been calculated in terms of the electron density functional theory and Debye–Grüneisen 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.
Received: 07.06.2010
Fulltext:
PDF file (819 kB)
