کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7961591 1513930 2013 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Nanomechanics of single walled carbon nanotube with water interactions under axial tension by using molecular dynamics simulation
ترجمه فارسی عنوان
نانومکانیک نانولوله کربنی تک دیواره با تعاملات آب تحت تنش محوری با استفاده از شبیه سازی دینامیک مولکولی
کلمات کلیدی
نانولوله کربنی، تعامل آب، نانولوله کربن غوطه ور، نانولوله کربن آب، نانو سیال، دینامیک مولکولی، نانومکانیک،
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
چکیده انگلیسی
The mechanical characteristics of single walled carbon nanotube (SWCNT) with surrounding water interactions are studied in this work using molecular dynamics simulation method. The effect of chirality, geometry of the SWCNT and the presence of end caps on water submerged SWCNT is investigated by subjecting the SWCNT to axial tensile loading. The findings show that the presence of surrounding water molecules will reduce the mechanical strength of SWCNT. Our findings also show that the location and concentration of defects will strongly affect the mechanical strength of water submerged SWCNT. Furthermore, the mechanical strength of a nano-fluidic device is investigated by subjecting a free form capped SWCNT filled with varying water concentrations under tensile loading. This study is of paramount importance in the field of nano-biotechnology and we found that the concentration of filled water molecules affect the mechanical properties of SWCNT under tension. Additionally, we also carried out the tensile loading of the water-filled SWCNTs submerged in water for its potential applications in the nano-biotechnology, nano-level drug delivery and nano-level fluid flow. Our findings reveal that although the interaction of surrounding water molecules affects the mechanical properties, the elastic strength and the resistance to mechanical loading is quite exceptional which suggests the SWCNTs to be promising candidates for applications in nano-biological and nano-fluidic devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 79, November 2013, Pages 519-526
نویسندگان
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