Abstract
The stability and migration of self-interstitial atoms (SIA) and di-interstitials in α-Fe were studied. The 〈110〉 was found to be the most stable SIA configuration, and the lowest-energy migration path corresponded to a nearest-neighbor translation-rotation jump with a barrier of 0.34 eV. The most stable configuration for di-SIAs consisted of 〈110〉 parallel dumbbells and their migration mechanism was similar to that for SIAs with an activation energy of 0.42 eV. The results show that the 〈111〉 dumbbell is nearly unstable and does not play any appreciable role.
| Original language | English |
|---|---|
| Article number | 175503 |
| Pages (from-to) | 175503-1-175503-4 |
| Journal | Physical Review Letters |
| Volume | 92 |
| Issue number | 17 |
| DOIs | |
| Publication status | Published - 30 Apr 2004 |
| Externally published | Yes |
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