کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5366202 1388345 2006 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Calculation of the surface energy of bcc transition metals by using the second nearest-neighbor modified embedded atom method
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Calculation of the surface energy of bcc transition metals by using the second nearest-neighbor modified embedded atom method
چکیده انگلیسی

The surface energies for 24 surfaces of all bcc transition metals Fe, Cr, Mo, W, V, Nb and Ta have been calculated by using the second nearest-neighbor modified embedded atom method. The results show that, for all bcc transition metals, the order among three low-index surface energies E(1 1 0) < E(1 0 0) < E(1 1 1) is in agreement with experimental results and E(1 1 0) is also the lowest surface energy for various surfaces. So that from surface energy minimization, the (1 1 0) texture should be favorable in the bcc films. This is also consistent with experimental results. The surface energy for the other surfaces increases linearly with increasing angle between the surfaces (h k l) and (1 1 0). Therefore, a deviation of a surface orientation from (1 1 0) can be used to estimate the relative values of the surface energy.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 252, Issue 23, 30 September 2006, Pages 8217-8222
نویسندگان
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