Упругие свойства B2-NiAl с добавлением W: исследование из первых принципов
نویسندگان
چکیده
The effect of tungsten alloying on the elastic properties B2 NiAl at low-temperature and high-temperature distribution W atoms sublattices. By means exact muffin-tin orbitals method in conjunction with coherent potential approximation, constants C11, C12, C44, Young's modulus E, shear G, Cauchy pressure values, G/B ratios are calculated. Using phenomenological criteria correlation between ductility solution phases, it has been shown that addition could yield improved for both types alloys. It is established Al sublattice, there a loss mechanical stability decrease increasing concentration. In alloys low–temperature Ni sites unique combination occurs: to enhancement, simultaneous increase C44 Young E content observed. differences behavior different sublattices analyzed by calculating density electronic states.
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ژورنال
عنوان ژورنال: Fizika tverdogo tela
سال: 2023
ISSN: ['0367-3294', '1726-7498']
DOI: https://doi.org/10.21883/ftt.2023.01.53917.477