کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7963832 | 1514166 | 2016 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of the interaction between helium and the defects in tantalum
ترجمه فارسی عنوان
بررسی اصول اولیه تعامل بین هلیم و نقص در تانتالم
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کلمات کلیدی
رفتار هلیم، تئوری کاربردی تراکم، تانتالیم،
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی انرژی
انرژی هسته ای و مهندسی
چکیده انگلیسی
As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3Â eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09Â eV. A large binding energy between He and vacancy 2.03Â eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19Â eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Nuclear Materials - Volume 480, November 2016, Pages 202-206
Journal: Journal of Nuclear Materials - Volume 480, November 2016, Pages 202-206
نویسندگان
Wen Yin, Xuejun Jia, Quanzhi Yu, Tianjiao Liang,