کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
977083 933170 2009 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular dynamics analyses of an Al(110) surface
موضوعات مرتبط
مهندسی و علوم پایه ریاضیات فیزیک ریاضی
پیش نمایش صفحه اول مقاله
Molecular dynamics analyses of an Al(110) surface
چکیده انگلیسی

This paper presents classical molecular dynamics (MD) simulations of an aluminum slab under a premelting condition. The aluminum surface is set at the (110) orientation. We have used a simple analytical form of an embedded-atom-method (EAM) potential to describe the inter-atomic interactions of the aluminum atoms. The results from our study are compared with those reported by Schommers. The pair correlation function is examined at different temperatures in order to analyze the trends for possible resemblance with Schommers results. The difference in the trends has confirmed that the use of the EAM potential resulted in the occurrence of the premelting condition at a lower temperature than the reported results obtained using the pseudopotential model. The surface melting process is also compared with other works for a better understanding of the effect of the EAM model on premelting of the Al(110) surface.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica A: Statistical Mechanics and its Applications - Volume 388, Issue 19, 1 October 2009, Pages 4083–4090
نویسندگان
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