First-principles study of migration and diffusion mechanisms of helium in α-Be
The behavior of interstitial helium in α-Be has been studied with first-principles method. It is found that the most favored position for helium is the basal octahedral (BO) site, closely followed by the basal tetrahedral (BT) site, in agreement with previous predictions. The interaction energy betw...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2016-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4944950 |