Elastic Properties of B2-NiAl with W addition: A first-principles study

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 C 11 ,C 12 44 , 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 Ni sites unique combination occurs: to enhancement, simultaneous increase E content observed. differences behavior different NiAl sublattices analyzed by calculating density electronic states. Keywords: NiAl, elements, tungsten, properties, ductility, first-principles calculations.