Research Center for Applied Sciences, Academia Sinica, 128, Section 2, Academia Road, Nankang, Taipei 115, Taiwan.
Langmuir. 2012 Jan 17;28(2):1276-82. doi: 10.1021/la203776x. Epub 2011 Dec 20.
We report very simple and accurate algebraic expressions for the van der Waals (VDW) potentials and the forces between two parallel and crossed carbon nanotubes. The Lennard-Jones potential for two carbon atoms and the method of the smeared-out approximation suggested by Girifalco were used. It is found that the interaction between parallel and crossed tubes is described by two universal curves for parallel and crossed configurations that do not depend on the van der Waals constants, the angle between tubes, and the surface density of atoms and their nature but only on the dimensionless distance. The explicit functions for equilibrium VDW distances, well depths, and maximal attractive forces have been given. These results may be used as a guide for the analysis of experimental data to investigate the interaction between nanotubes of various natures.
我们提出了用于范德华（vdW）势和两个平行及交叉碳纳米管之间相互作用力的非常简单且精确的代数表达式。使用了两个碳原子的 Lennard-Jones 势和 Girifalco 提出的 smeared-out 近似方法。结果发现，平行和交叉管之间的相互作用由两个通用曲线描述，平行和交叉构型的通用曲线不依赖于范德华常数、管之间的角度、原子的表面密度及其性质，而仅取决于无量纲距离。还给出了平衡 vdW 距离、势阱深度和最大吸引力的显式函数。这些结果可用于指导对实验数据的分析，以研究各种性质的纳米管之间的相互作用。
