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.
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