A Finite Element Model to Investigate the Stress-Strain Behavior of Single Walled Carbon Nanotube (SWCNT)

This chapter describes a finite element (FE) method that is appropriate for the numerical prediction of mechanical behavior of different types of isolated SWCNT. The aim of this research is to develop a FE model based on the modified Morse interatomic potential to evaluate axial Young’s modulus of nanotubes. The novelty of the model lies on the use of ANSYS’s beam element with non-linear capability, i.e., element type BEAM188 is used to evaluate SWCNT‘s mechanical properties. In the present modeling work, an individual carbon nanotube (CNT) is simulated as a frame-like structure and the primary bonds between two nearest-neighboring carbon atoms are treated as 3D beam elements. The beam element properties are determined via the concept of energy equivalence between molecular dynamics and structural mechanics using modified Morse potential. The calculated mechanical properties show good agreement with existing works.