کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1685952 1010583 2007 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Modeling of point defects and rare gas incorporation in uranium mono-carbide
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سطوح، پوشش‌ها و فیلم‌ها
پیش نمایش صفحه اول مقاله
Modeling of point defects and rare gas incorporation in uranium mono-carbide
چکیده انگلیسی

An embedded atom method (EAM) potential has been established for uranium mono-carbide. This EAM potential was fitted on structural properties of metallic uranium and uranium mono-carbide. The formation energies of point defects, as well as activation energies for self migration, have been evaluated in order to cross-check the suitability of the potential. Assuming that the carbon vacancies are the main defects in uranium mono-carbide compounds, the migration paths and energies are consistent with experimental data selected by Catlow[C.R.A. Catlow, J. Nucl. Mater. 60 (1976) 151]. The insertion and migration energies for He, Kr and Xe have also been evaluated with available inter-atomic potentials [H.H. Andersen, P. Sigmund, Nucl. Instr. and Meth. B 38 (1965) 238]. Results show that the most stable defect configuration for rare gases is within uranium vacancies. The migration energy of an interstitial Xe is 0.5 eV, in agreement with the experimental value of 0.5 eV [Hj. Matzke, Science of advanced LMFBR fuels, Solid State Physics, Chemistry and Technology of Carbides, Nitrides and Carbonitrides of Uranium and Plutonium, North-Holland, 1986].

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 146–150
نویسندگان
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