ATOMISTIC SIMULATION OF RADIATION-INDUCED AMORPHIZATION OF THE ORDERED COMPOUND NIZR

We have investigated the electron-irradiation-induced amorphization of the ordered compound NiZr using molecular dynamics simulations. Ni and Zr atoms were randomly exchanged and Frenkel pairs were introduced, in two separate processes, to simulate the effects of electron irradiation. The interatomic potentials for the simulations were developed using the embedded-atom method. During the simulation, the state of the system was studied by monitoring changes in thermodynamic, mechanical and structural properties as functions of damage dose. Our results indicate that NiZr can be amorphized by atom exchanges as well as by the introduction of Frenkel pairs and are in agreement with experimental observations.