论文部分内容阅读
在单壁碳纳米管电浸润现象原子模拟的基础上,对双壁碳纳米管的电浸润现象进行了计算机模拟.运用经典分子动力学方法结合一个宏观的电毛细管模型模拟了双壁碳纳米管在水银中的电浸润过程,对不同内管尺寸情况下的浸润现象作了研究和比较.计算结果表明双壁碳管和单壁碳管的电浸润过程存在很大的不同,双壁碳管的内管在电浸润过程中起到重要的作用:当改变双壁碳管中内管的尺寸时,浸润现象会产生很大的改变.
Based on the atomic simulation of single-walled carbon nanotubes (MWNTs) electro-wetting, the electronic immersion of double-walled carbon nanotubes was simulated by using the classical molecular dynamics method combined with a macro-electrocapillary model to simulate the double-walled carbon nanotubes In the process of electro-wetting in mercury, the phenomenon of infiltration under different inner tube size was studied and compared.The calculated results show that the electric infiltration process of double-walled carbon nanotubes and single-walled carbon nanotubes is quite different, Of the inner tube plays an important role in the electro-wetting process: when changing the size of the inner tube in the double-walled carbon tube, the infiltration phenomenon will have a great change.