Molecular Dynamics Simulations of Displacement Cascades in Fe-10%Cr Systems

Abstract

Molecular Dynamics (MD) simulations of displacement cascades in Fe-10&percnt;Cr systems are used to simulate the Primary Knocked-on Atom (PKA) events on the irradiation damage at temperature 300, 600 and 750K with PKA energies between 1 and 15keV. The results indicate that the vacancies produced by cascade are all in the central region of the displacement cascade. During the cascade evolution all recoil Fe and Cr atoms combine with each other to form Fe-Cr or Fe-Fe interstitial dumbbells as well as interstitial clusters. The number and size of interstitial clusters increase with the energy of PKA and temperature. A few large clusters consisting of a large number of Fe interstitials with a few Cr atoms, the rest being Fe-Cr clusters with small and medium sizes. The interstitial dumbbells of Fe-Fe and Fe-Cr are in the <111> and <110> series direction, respectively.