کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1741700 | 1521787 | 2008 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Application of the relativistic DV-Xα molecular orbital method to γ-uranium alloys with transition metals
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی انرژی
مهندسی انرژی و فناوری های برق
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Application of the relativistic DV-Xα molecular orbital method to γ-uranium alloys with transition metals Application of the relativistic DV-Xα molecular orbital method to γ-uranium alloys with transition metals](/preview/png/1741700.png)
چکیده انگلیسی
The alloying behavior of 4d and 5d transition metals (TMs) in γ-phase solid uranium (U) has been investigated using the discrete-variational Dirac–Fock–Slater (DV-DFS) method. We examined the d-orbital energy (Md value) of these TMs, the orbital overlap population (OOP) between the d-orbital of these TMs and the 5f or 6d orbital of γ-U, and the effective charge on each atom of the γ-U/TM alloy, and the effect of these parameters on alloying. It was found that the maximum solid solubility (MSS) of TMs into γ-U was exponentially proportional to both the Md and the OOP (U5f–TMd and U6d–TMd), except for Ta and W elements. We found a good correlation between the MSS and Md, the effective charge, or OOP.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Progress in Nuclear Energy - Volume 50, Issues 2–6, March–August 2008, Pages 549–555
Journal: Progress in Nuclear Energy - Volume 50, Issues 2–6, March–August 2008, Pages 549–555
نویسندگان
Masayoshi Kurihara, Masaru Hirata, Jun Onoe, Hirohide Nakamatsu,