کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5364025 | 1388310 | 2007 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Atomistic simulation of the self-diffusion in Fe (1 1 1) surface
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The formation energies, the intra- and inter-layer self-diffusion activation energies of a single vacancy in Fe (1Â 1Â 1) surface have been investigated with the modified analytical embedded-atom method (MAEAM). The results show that the effect of the surface is down to the sixth layer for the formation and intra-layer migration of the vacancy. It is easier for a vacancy to form and to migrate in intra-layer in the first (especially), the second and the third layer. For inter-layer migration, a single vacancy in each of the first six layers is favorable to migrate to the upper layers. On the contrary, a single vacancy in the seventh, the eighth and the ninth layers is favorable to migrate to the lower layers.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 253, Issue 21, 31 August 2007, Pages 8620-8625
Journal: Applied Surface Science - Volume 253, Issue 21, 31 August 2007, Pages 8620-8625
نویسندگان
Yan-Ni Wen, Jian-Min Zhang, Ke-Wei Xu,