کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1522892 1511823 2013 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Surface energy calculation of hcp metals using the analytical equivalent crystal theory
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
Surface energy calculation of hcp metals using the analytical equivalent crystal theory
چکیده انگلیسی

We have used the newly formulated analytical equivalent crystal theory method which is a modification of the ECT method to calculate the surface energies for the (001) surface of 20 hcp metals. Our calculated AECT surface energies show excellent agreement with the ECT. The data may be used as a consistent starting point for models of surface science phenomena. The accuracy of the surface energy results is established from a comparison with other theoretical results and experiment.


► We calculated the surface energies for the (001) surface of twenty hcp metals.
► Lambert's function is employed to speed up root finding procedure for calculating surface energy.
► Obtained results agree well with first-principles calculations and experimental results.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Chemistry and Physics - Volume 138, Issues 2–3, 15 March 2013, Pages 529–534
نویسندگان
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