Structural, elastic and thermodynamic properties of the binary precipitates γ-TiAl, DO<sub>22</sub>-Al<sub>3</sub>Ti and α<sub>2</sub>-Ti<sub>3</sub>Al
نویسندگان
چکیده
The pressure dependence of the lattice and elastic constants binary precipitates γ-TiAl, DO22-Al3Ti α2-Ti3Al are firstly investigated by using a first-principles approach. calculated results at 0 GPa K agree well with existing experimental other theoretical values. Using density-functional perturbation theory (DFPT) under quasiharmonic approximation (QHA), temperature dependencies bulk modulus, Gibbs free energy, thermal expansion coefficient, as heat capacity constant systematically in ranges 0–1000 0–30 GPa.
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ژورنال
عنوان ژورنال: High Temperatures-high Pressures
سال: 2023
ISSN: ['0018-1544', '1472-3441']
DOI: https://doi.org/10.32908/hthp.v52.1133