کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5410040 1506554 2016 12 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Investigation of melting and freezing of Ag-Au alloy nanoclusters supported on carbon nanotube using molecular dynamics simulations
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Investigation of melting and freezing of Ag-Au alloy nanoclusters supported on carbon nanotube using molecular dynamics simulations
چکیده انگلیسی
We have simulated the heating and cooling processes of Ag-Au alloy nanoclusters of 256 atoms with the different mole fractions supported on single walled carbon nanotube with the different diameters in the range of 100-1700 K. The hysteresis in energy and in-plane radial distribution function curves, irreversibility of structural change with temperature, surface wetting, and change of the nanocluster melting point with change of the Au mole fraction and the nanotube diameter have been investigated by analyzing the obtained data from the simulations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 216, April 2016, Pages 671-682
نویسندگان
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