R. Devanathan et al., ATOMISTIC SIMULATION OF RADIATION-INDUCED AMORPHIZATION OF THE ORDERED COMPOUND NIZR, Journal of alloys and compounds, 194(2), 1993, pp. 447-454
We have investigated the electron-irradiation-induced amorphization of
the ordered compound NiZr using molecular dynamics simulations. Ni an
d Zr atoms were randomly exchanged and Frenkel pairs were introduced,
in two separate processes, to simulate the effects of electron irradia
tion. The interatomic potentials for the simulations were developed us
ing 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 ind
icate that NiZr can be amorphized by atom exchanges as well as by the
introduction of Frenkel pairs and are in agreement with experimental o
bservations.