采用经典分子动力学(MD)方法对几种基于分支结构碳纳米管(CNT)的纳米销进行安装过程模拟,比较了两种安装方式,重点研究了双支管纳米销的安装可行性及控制端长度对双支管纳米销安装性能的影响。研究表明:相比于推安装,拉安装不仅将其支管的安装提前了,也将安装过程中的最大安装阻力提升了一个量级,因此推安装更加实用;双支管纳米销可以被成功安装,但具有更多支管的纳米销由于支管关节引起的主管轻微弯曲需要更严格的筛选和定位误差修正;20 nm的控制端长度和第二支管位置并不会直接造成双支管纳米销主管的屈曲。因此,双分支结构碳纳米管可以实现纳米器件的安装准确性和纳米构件的有效连接,而具有更多支管的纳米销的安装则需要进一步探索和优化。
The simulations on the installation processes of the nanopins based on the several kinds of branched carbon nanotubes (CNTs) were conducted by the classic molecular dynamics (MD) method. Two installation methods were compared. The installation feasibility of the nanopins with double branches and the effects of the lengths of the control ends on the installation performance of the nanopins with double branches were mainly researched. The results show that compared with the push installation, the pull installation can advance the installation process of the branch and the maximum installation resistance during the installation process increases an or- der of magnitude, and thus the push installation is more practical. The nanopins with double branches can be installed successfully, but the nanopins with more branches need the stricter se- lection and positioning error correction due to the slight bend of the trunk tube caused by the branch joint. The control end length of 20 nm and the position of the second branch cannot directly lead to the buckling of the trunk tube for the nanopins with double branches. Therefore, the CNTs with double branches can realize the accurate installation of the nanodevices and the effective connection of the nano components, but the installation of the nanopins with more branches needs further investigation and optimization.