水分子通过碳纳米管的运输行为对认识生命的新陈代谢活动、海水淡化和纳米运输器件有着重要的参考作用.本文通过分子动力学的方法研究了水分子通过形变碳纳米管的运输行为,即椭圆柱状碳纳米管的离心率e对管内水分子输运的影响.结果发现椭圆柱状碳纳米管的离心率对管内水分子的偶极矩概率分布、径向函数分布和流量有重要的影响作用.分析认为碳纳米管的形变使管内水分子的偶极矩态及其运输状态发生变化;同时也发现在一定范围内通过改变碳纳米管的形状能起到分子开关的作用. The transport of water molecules through carbon nanotubes plays an important role in understanding the metabolic activities of life, desalination and nano-transport devices.In this paper, molecular dynamics is used to study the transport behavior of water molecules through the deformed carbon nanotubes, It is found that the eccentricity of elliptic cylindrical carbon nanotubes has an important effect on the probability distribution of dipole moment, radial distribution and flow rate of water molecules in the tube. It is considered that the deformation of carbon nanotubes changes the dipole moment state of water molecules in the tube and its transport state. It is also found that the carbon nanotubes can play a role of molecular switch within a certain range by changing the shape of carbon nanotubes.