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arxiv: 1307.3385 · v2 · pith:EZRCT2JDnew · submitted 2013-07-12 · ❄️ cond-mat.mtrl-sci

Electronic effects in high-energy radiation damage in iron

classification ❄️ cond-mat.mtrl-sci
keywords damageeffectselectronicmodelt-mdamountdynamicshigh-energy
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Electronic effects are believed to be important in high--energy radiation damage processes where high electronic temperature is expected, yet their effects are not currently understood. Here, we perform molecular dynamics simulations of high-energy collision cascades in $\alpha$-iron using the coupled two-temperature molecular dynamics (2T-MD) model that incorporates both effects of electronic stopping and electron-ion interaction. We subsequently compare it with the model employing the 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 the final damage at longer times, which we interpret to be the result of two competing effects: smaller amount of short-time damage and shorter time available for damage recovery.

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