کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1685928 1010583 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio calculations about intrinsic point defects and He in W
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سطوح، پوشش‌ها و فیلم‌ها
پیش نمایش صفحه اول مقاله
Ab initio calculations about intrinsic point defects and He in W
چکیده انگلیسی

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.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms - Volume 255, Issue 1, February 2007, Pages 23–26
نویسندگان
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