Molecular dynamics simulations of phase formation and stability in the Al(Ni) system under irradiation

Abstract

Molecular dynamics simulations of displacement cascades in aluminium, aluminium–nickel solid solutions and inhomogeneous samples containing amorphous or crystalline Al₃Ni precipitates are performed. It is shown that no segregation occurs inside the displacement cascade and that the nickel atoms are in an interstitial position after the thermal spike. The number of defects created by the cascade increases with the nickel initial composition until this concentration reaches 20 at% Ni, at which point a complete amorphization is observed. Furthermore, it is observed that precipitates are dissolved or remain stable under cascade conditions depending on their size.

Acknowledgement

The Swiss National Fund for Science and the Paul Scherrer Institut are acknowledged for financial support.