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 PDF
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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Physical Sciences and Engineering Materials Science Surfaces, Coatings and Films
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