کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10644671 | 999666 | 2005 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
O interstitial energetics in Ti from ab initio calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
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چکیده انگلیسی
Ti-porcelain systems have been used in prosthetic dentistry since 1980. The chemical bonding in this kind of systems is generally attributed to oxidic compounds. The porcelain functions as an O donator and stoichiometric and non-stoichiometric titanium oxides are formed at the interface. These oxides result in substantial distortion of the crystalline structure and failure of bonding. A useful technique for surface conditioning is the silicon-ion implantation, which results in the formation of a metal-silicon zone protecting against O diffusion. In dental materials technology, processes on the atomic scale have been investigated insufficiently or not at all. In this work, we present ab initio calculations on the energetics of an O interstitial in a Ti crystal. The aim of our study is getting new insight into the atomic scale properties of these Ti-porcelain systems.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 32, Issue 1, January 2005, Pages 13-19
Journal: Computational Materials Science - Volume 32, Issue 1, January 2005, Pages 13-19
نویسندگان
I. Lado-Touriño, F. Tsobnang,