碳纳米管在纳米技术中有一个很重要的应用,就是它可以作为纳米管道传输液体.本文用分子动力学模拟方法,结合一个液体压力控制模型,对液体水银由于外部压力作用在碳纳米管中传输的现象进行研究.研究结果表明,当液体水银的内部压强超过一个临界值时,液体水银能够浸入到碳纳米管内部;不断增大液体内部的压强,碳纳米管可以连续地传输液体;而当对液体水银进行循环加压时,碳纳米管可以间断地传输液体水银. Carbon nanotubes have a very important application in nanotechnology, which is that they can be used as nano-pipelines to transport liquids.In this paper, molecular dynamics simulation method, combined with a liquid pressure control model, the liquid mercury due to external pressure in the carbon nanotubes The results show that when the internal pressure of liquid mercury exceeds a critical value, the liquid mercury can be immersed into the interior of the carbon nanotube. The pressure inside the liquid is continuously increased, and the carbon nanotubes can continuously transport the liquid. When the liquid mercury is cyclically pressurized, the carbon nanotubes can intermittently transfer the liquid mercury.