Zarkadoula, E; Daraszewicz, SL; Duffy, DM; Seaton, MA; Todorov, IT; Nordlund, K; Dove, MT; Zarkadoula, E; Daraszewicz, SL; Duffy, DM; Seaton, MA; Todorov, IT; Nordlund, K; Dove, MT; Trachenko, K; - view fewer (2014) Electronic effects in high-energy radiation damage in iron. Journal of Physics: Condensed Matter , 26 (8) , Article 085401. 10.1088/0953-8984/26/8/085401.

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Abstract

Electronic effects have been shown to be important in high-energy radiation damage processes where a high electronic temperature is expected, yet their effects are not currently understood. Here, we perform molecular dynamics simulations of high-energy collision cascades in α-iron using a coupled two-temperature molecular dynamics (2T-MD) model that incorporates both the effects of electronic stopping and electron-phonon interaction. We subsequently compare it with the model employing electronic stopping only, and find several interesting novel insights. The 2T-MD results in both decreased damage production in the thermal spike and faster relaxation of the damage at short times. Notably, the 2T-MD model gives a similar amount of final damage at longer times, which we interpret to be the result of two competing effects: a smaller amount of short-time damage and a shorter time available for damage recovery.

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