Ab initio calculations about intrinsic p
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C.S. Becquart; C. Domain
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Article
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2007
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Elsevier Science
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English
β 160 KB
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 h1 1 1i dumbbell. The divacancy is no