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Abstract
The main goal of this research is to extract a suitable continuum modeling of buckyball-C60. For this purpose, firstly the lattice structure of buckyball-C60 is modelled and subsequently a spherical structure equivalent to fullerene structure is considered. The fullerene structure modeled with shell elements is under internal pressure and in the continuum shell modeling process. The results of simulation demonstrate that the fullerene structure can be modelled using spherical structure. The comparison between strain energies of the equivalent fullerene spherical model and molecular mechanics model under radial displacement, shows that C60-fullerene spherical structures can be modeled using a shell with 0.665 A thickness, 5.07 TPa elastic modulus and 0.165 Poisson's ratio or a shell with 0.75 A thickness, 4.84 TPa elastic modulus and 0.19 Poisson's ratio. Moreover, the applied elliptical strain is used to demonstrate that the performance of the continuum spherical shell model of C60 is faultless.
Highlights
Fullerenes (Kroto et al, 1985), graphene sheets (Stankovich et al, 2006) and nanotubes (Iijima, 1991) are common nano-structures
This paper presents an equivalent thin-walled sphere for buckyball-C60 based on continuum mechanics modelling instead of molecular dynamics simulation and molecular structural mechanic modeling
Exact fullerene structure and mapped structure is modelled by shell elements
Summary
Fullerenes (Kroto et al, 1985), graphene sheets (Stankovich et al, 2006) and nanotubes (Iijima, 1991) are common nano-structures. Nano-structures can be defined as a system where at least one dimension is less than 100 nm (Lieber, 1998). These materials are expected to possess numerous properties which are interesting for their potential application in technological fields (Cornwell et al, 1997). The ground state of an infinitely large array of sp bonded carbons is the planar graphene configuration. For the finite arrays of carbons, such as fullerene, the situation is different. The nonsaturated bonds at the edges increase the energy of the system significantly, and bending back and
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