Amorphization mechanism, structural and dynamic properties of Ni80Zr20 metallic glass

Method of molecular dynamics with pair interaction potentials, calculated in the framework of pseudopotential theory, was used to simulate the process of rapid quenching and to investigate atomic structure and dynamics of the lattice of Ni80Zr20 alloy in amorphous state. General and partial function of radial distribution of atoms were calculated; the nearest interatomic distances and coordination numbers were determined. Distributions by velocities and densities of vibrational states were obtained for each category of atoms. it was established that irregular behaviour of amorphous alloys was related with violation of thermodynamic conditions of canonical character, conditioned by the presence of nanocrystalline heterogeneities of composition