Effective pair potential and dynamic correlations in Ni₅₃B₄₇ melt

Abstract

Using experimental values the structure factor of the Ni₅₃B₄₇ melt measured by Nassif et al., the potential function is derived through the use of Rao-Joarder's equation. The calculated potential function exhibits a repulsive hump corresponding to the first nearest-neighbour distance. The potential function is also calculated using Percus-Yevick (PY) and hyper-netted chain (HNC) equations. In all the cases the repulsive hump appears. The nearest-neighbour distances obtained by different methods are compared and found in fair agreement with each other. The potential function is used in the evaluation of phonon frequencies. From these phonon frequencies the elastic constants are computed. They are also calculated from I₁ and I₂ integrals of Schofield. Using the potential function, the characteristic frequency is also calculated and compared with the average frequency by other methods.