Point-defect concentrations in B2 NiAl alloys under pressure

Abstract

The pressure dependence of point-defect concentrations is calculated on the basis of two recently published models. It is demonstrated that the effective formation volume of vacancies shows asymmetrical character about stoichiometry. For Ni-rich and stoichiometric compositions, the concentration of Ni vacancies versus pressure can be described by a simple exponential function. The concentration of Ni antisite defects is independent of pressure. For Al-rich compositions, the concentration of Ni vacancies shows a more complex behaviour. At low pressures the vacancy concentration is independent of pressure, the effective formation volume is zero, while above a critical pressure the vacancy concentration becomes pressure dependent. This can be explained by the annihilation reaction of Ni vacancies. The pressure of complete replacement depends on the stoichiometry and has proved to be very sensitive to the input parameters used in the different models. The changes expected in diffusion activation energy and activation volume with composition are discussed on the basis of calculated temperature and pressure dependence of Ni vacancy concentration, assuming vacancy-mediated diffusion. The pressure effect on the boundary that separates regions in which triple defects or interbranch defects dominate was also investigated. It was observed that pressure expands the region in which Al interbranch defects dominate.