Structure of Mg₅₀Ni₅₀ amorphous alloy studied by using X-ray diffraction and reverse Monte Carlo modelling

X-ray diffraction measurement was performed on an Mg₅₀Ni ₅₀ amorphous alloy prepared by mechanical alloying under an Ar atmosphere. Reverse Monte Carlo (RMC) simulation based on the X-ray diffraction data was used to construct a three-dimensional atomic arrangement of the amorphous alloy. In addition, the local environments around the Mg and Ni atoms were investigated by using Voronoi polyhedral analysis on the RMC configuration. The results show that isosahedral structures are predominant around the Mg and Ni atoms in Mg₅₀Ni₅₀, although prismatic local structures are present around some of the Ni atoms.