The Molecular Mechanics Model of Carbon Allotropes

Document Type: Original Research Paper


1 faculty of engineering, university of shahreza, Isfahan, Iran

2 Student of mechanical enginnering, university of shahreza,isfahan, iran


Due to its valency, carbon can form too many allotropes. A number of well-known forms of carbon include graphene, carbon nanotubes, capped carbon nanotubes, buckyballs, and nanocones. The remarkable mechanical properties of these carbons have attracted researchers. Numerous studies have been conducted on carbon nanotubes or graphene. In the present study, however, we applied the molecular mechanic method in order to model five forms of carbon with a uniform approach and draw a detailed comparison between the allotropes of carbon. Furthermore, we obtained Young’s modulus and natural frequencies for every form of carbon, which can be useful for researchers. The results show that increasing the diameter of the carbon nanotube will decrease its strength (decreases the Young’s modulus). Also, the capped carbon nanotube is stronger than the non-capped nanotube. This is because of the end bonds of the carbon nanotube. Also, the results show that Buckyball has extraordinary properties. Its strength is three times more than that of the carbon nanotube with the same diameter.