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.
| Original language | English |
|---|---|
| Article number | 085401 |
| Journal | Journal of Physics Condensed Matter |
| Volume | 26 |
| Issue number | 8 |
| DOIs | |
| State | Published - Feb 26 2014 |
| Externally published | Yes |
Keywords
- electronic effects
- high-energycollision cascades
- iron
- molecular dynamic simulations
- radiation damage