کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9793640 | 1514276 | 2005 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
X-ray diffraction and molecular dynamics simulation studies of molten uranium chloride
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی انرژی
انرژی هسته ای و مهندسی
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چکیده انگلیسی
The structure of molten UCl3 at 1200Â K was studied by high-temperature X-ray diffraction and molecular dynamics simulation. The XRD data was reproduced by the simulation with a polarizable ionic model. The nearest U3+-Clâ distance was 2.85Â Ã
with coordination number 8.0, implying that the 8-fold structure (UCl8)5â is predominant in the melt - in contradiction to earlier suggestions of octahedral coordination. The potential model, which had been optimized by comparison with the structural data, was also found to reproduce the experimental information on transport properties like the diffusion coefficient, electrical conductivity and shear viscosity.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Nuclear Materials - Volume 344, Issues 1â3, 1 September 2005, Pages 109-114
Journal: Journal of Nuclear Materials - Volume 344, Issues 1â3, 1 September 2005, Pages 109-114
نویسندگان
Y. Okamoto, P.A. Madden, K. Minato,