Electronic effects in high-energy radiation damage in iron

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 tw...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2014-02, Vol.26 (8), p.085401-085401
Main Authors: Zarkadoula, E, Daraszewicz, S L, Duffy, D M, Seaton, M A, Todorov, I T, Nordlund, K, Dove, M T, Trachenko, K
Format: Article
Language:English
Subjects:
Alpha iron
Condensed matter
Coupling (molecular)
Damage
electronic effects
Electronic properties
Electronics
high-energy collision cascades
iron
molecular dynamic simulations
Molecular dynamics
Radiation damage
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Summary: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.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/26/8/085401