摘要
本文使用分子动力学模拟方法,研究了单根碳纳米管在线性剪切流场中的定向行为,选用Lennard-Jones势能函数描述的氩作为流体介质。发现碳纳米管偏向沿与流动方向呈一个微小夹角的方向取向,可以由此定义三种随时间变化的定向行为,分别定义为"完全定向"(碳纳米管在一个取向附近微小摆动)、"间断定向"(碳纳米管在完全定向中的摆动会不时被360°转动打断)以及"无法定向"(碳纳米管的运动以360°转动为主).研究发现,碳纳米管的定向行为取决于流体剪切率、密度、温度和碳纳米管管长、管径等因素。
Orientation of a carbon nanotube in fluid under linear shear flow is investigated by molecular dynamics simulations.Argon,described by Lennard-Jones potential,is selected as the surrounding fluid.The nanotube prefers to orient itself around the flow direction with a small angle.Three forms of time-varying orientational behaviors are observed:(i) 'Perfect orientation'(the nanotube oscillates around a particular direction);(ii) 'Interrupted orientation'(the oscillation is interrupted by a 360° rotation now and then);(iii) 'Failed orientation'(the 360° rotations dominate).The shear rate,density and temperature of fluid,length and diameter of nanotube determine the orientational behaviors.
出处
《工程热物理学报》
EI
CAS
CSCD
北大核心
2014年第4期726-729,共4页
Journal of Engineering Thermophysics
基金
国家自然科学基金(No.51322603
No.51356001
No.51136001
No.51321002)
教育部新世纪优秀人才支持计划
清华信息科学与技术国家实验室资助项目
