کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1562310 | 999584 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Bond lengths and bond angles of armchair single-walled carbon nanotubes through molecular dynamics and potential energy curve approaches
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In the present work, the structural parameters of several armchair single-walled carbon nanotubes (SWCNTs) were determined using molecular dynamics (MD) simulation. It was found that the bond lengths and bond angles have unequal values. Furthermore, these findings were demonstrated by constructing bond length potential energy (BLPE) and bond angle potential energy (BAPE) curves. A mathematical model was constructed for BLPE and BAPE curves. A good agreement was observed between the results obtained from MD simulations and those obtained from BLPE and BAPE curves.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 49, Issue 4, October 2010, Pages 871–875
Journal: Computational Materials Science - Volume 49, Issue 4, October 2010, Pages 871–875
نویسندگان
A. Mashreghi, M.M. Moshksar,