کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1548075 | 997718 | 2016 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Atomic-scale segregation behavior of Sn/Ti and O at Σ3[11¯0](111) grain boundary in niobium
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
First-principle calculation was performed to illustrate the atomic arrangement and segregation behavior of Sn/Ti and O in Σ3[11¯0](111) grain boundary, and the interaction of oxygen interstitials with Sn/Ti atoms on the grain boundary was studied. The analyses on the segregation energies and geometric positions, and the electron densities show that Sn, Ti and O atoms segregate at the Σ3Σ3 grain boundary. And the preferred segregation sites of the impurities at Σ3[11¯0](111) were determined. When Sn segregates at grain boundary plane, the O atom prefers to the bulk-like site and shows no segregation tendency at grain boundary, whereas the segregated Ti atom can slightly enhance oxygen segregation at the grain boundary.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Progress in Natural Science: Materials International - Volume 26, Issue 2, April 2016, Pages 152–157
Journal: Progress in Natural Science: Materials International - Volume 26, Issue 2, April 2016, Pages 152–157
نویسندگان
Zenghui Liu, Jiaxiang Shang,