Energy-Composition Relations in Ni3(Al1−xXx) Phases
نویسندگان
چکیده
The secondary phase, such as Ni$_3$Al-based $L1_2$ $\gamma^\prime$, is crucially important for precipitation strengthening of superalloys. Composition-structure-property relations provide useful insights guided alloy design. Here we use density functional theory combined with the multiple scattering to compute dependencies structural energies and equilibrium volumes versus composition ternary Ni$_3$(Al$_{1-x}$X$_x$) alloys X=(Ti, Zr, Hf; V, Nb, Ta; Cr, Mo, W) in $L1_2$, $D0_{24}$, $D0_{19}$ phases a homogeneous chemical disorder on (Al$_{1-x}$X$_x$) sublattice. Our results better understanding physics precipitates facilitate design next-generation nickel superalloys strengthening.
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ژورنال
عنوان ژورنال: Crystals
سال: 2023
ISSN: ['2073-4352']
DOI: https://doi.org/10.3390/cryst13060943