Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1685928 | Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms | 2007 | 4 Pages |
Abstract
We have used ab initio calculations in the framework of the density functional theory to determine the properties of the self-interstitial atom, the vacancy, vacancy clusters and He in tungsten. The most stable configuration for the self-interstitial atom is the 〈1 1 1〉 dumbbell. The divacancy is not stable and a strong repulsion is observed especially in second nearest neighbour position. The most stable configuration for interstitial He is in tetrahedral position. The interactions of He atoms with a vacancy are found to be in very good agreement with the experimental data.
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Authors
C.S. Becquart, C. Domain,