کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
11006994 1514136 2018 29 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Effect of neon on the hydrogen behaviors in tungsten: A first-principles study
موضوعات مرتبط
مهندسی و علوم پایه مهندسی انرژی انرژی هسته ای و مهندسی
پیش نمایش صفحه اول مقاله
Effect of neon on the hydrogen behaviors in tungsten: A first-principles study
چکیده انگلیسی
Seeding the impurity elements in W can affect the H behaviors. The effect of Ne on H behaviors in W bulk and W (110) surface has been investigated with the first-principles density functional theory (DFT) calculations in the present paper. It is found that the interactions between the interstitial Ne and H are attractive in bulk W. Ne atom can reduce the binding energies for H in the vacancy and divacancy, and the binding energies decrease linearly with the ratio of Ne and vacancy. In the W (110) surface without vacancy, the threefold hollow site is the most preferable site for H adsorption; Ne atom cannot be adsorbed on the W surface and in the subsurface because of the weak interaction. The substitutional Ne in subsurface can impede H absorption, and increase the diffusion barrier for H from the surface into subsurface.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Nuclear Materials - Volume 510, November 2018, Pages 492-498
نویسندگان
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