Abstract

It is essential to build the models of carbon nanotubes when their mechanical characteristics are studied by using molecular dynamics or other numerical methods. The approach of computer simulation on structures of single walled carbon nanotubes was studied in this paper based on the analysis of different structures of carbon nanotubes. The detail steps and the corresponding formulas are given. Moreover, a program for simulating different structures of single walled carbon nanotubes was developed. The program has some advantages such as high speed, good stability and so on. It provides essential foundations for analysis of mechanical characteristics of carbon nanotubes.

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