Alloying effects on low‒energy recoil events in concentrated solid‒solution alloys

Alloying elements at low-concentrations into pure metals is usually adopted to improve their mechanical properties and irradiation performance. Recently developed single-phase concentrated solid-solution alloys (CSAs) comprised of two or more elements, all at high concentrations, have demonstrated good radiation resistance. CSAs are characterized by their extreme disordered states that arise from the random arrangement of different elements and accompanied random local lattice distortions. In this work, we investigate low-energy recoil events in Ni0.5X0.5 (X = Fe and Co) CSAs and Ni0.8X0.2 (X = Fe, Co, Cr, and Pd) CSAs using ab initio molecular dynamics simulations to understand the effects of different disorder on defect production in CSAs. The threshold displacement energies are determined along three high-symmetric directions by randomly choosing independent primary knock-on atoms in each direction. As expected, the threshold energies in Ni and its CSAs are anisotropic, with the highest values found in the [111] direction. The calculated threshold energies of Fe in NiFe are smaller than those in NiCo and Ni, especially along the [111] direction. An inspection of the atomic trajectories inside the collision cascade reveals that the effect of chemical disorder outweighs the site-to-site lattice distortions in determining the threshold energies. Especially, different interaction properties between elements due to their different electronic structures are responsible for the observed different threshold energies. The local environment dependence of threshold energies suggests that local elemental arrangement can be used to understand and predict threshold energies in disordered alloys.