Predicting the nonlinear tensile behavior of carbon nanotubesusing finite element simulation

Carbon nanotubes (CNTs) possess extremelyhigh mechanical properties and could be the ultimate reinforcingmaterials for the development of nanocomposites. Inthis work, a Finite Element (FE) model based on themolecularmechanics theory was developed to evaluate tensile properties of single-walled carbon nanotubes (SWCNTs). The deformation and fracture of carbon nanotubes under tensile strain conditions were studied by common FE software, Ansys. In this model, individual carbon nanotube was simulated
as a frame-like structure, and the primary bonds between two nearest-neighboring atoms were treated as beam elements. The beam element properties were determined via
the concept of energy equivalence between molecular dynamics
and structural mechanics. So far, several researches have studied the elastic behavior of CNTs, and its nonlinearity
is not well understood. The novelty of the model lies on
the use of nonlinear beam elements to evaluate SWNTs tensile
failure. The obtained calculated mechanical properties show good agreement with existing numerical and experimental
results.