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Investigation of Nonlinear Tensile Behavior of Defective Carbon Nanotubes Using a Modified Molecular Structural Mechanics Model
Paper ID : 2120-UFGNSM13-FULL (R1)
Authors:
Seyed Hadi Ghaderi *
Shahrood Univeristy Of Technology
Abstract:
In this paper, mechanical properties of carbon nanotubes (CNTs) under tensile loading are investigated using a modified molecular structure mechanics (MSM) model. The interactions between carbon atoms are modeled using a beam element of general section. Each of the atomic interactions including bond stretching, bond angle bending, torsion and inversion are appropriately modeled using the equivalent beam element. The local principal directions associated with the bond angle bending and inversion are defined for each of the beam elements constituting the CNT model. Based on the proposed modeling approach, the mechanical properties of several armchair and zigzag CNTs under tensile load up to the bond breaking and fracture point are investigated. The present model enables capturing the progressive damage and failure of carbon nanotubes with Stone-Wales and vacancy defects. The predicted nonlinear behaviors of nanotubes are found to be very similar to results calculated from the time consuming molecular dynamics simulations.
Keywords:
Molecular structural mechanics, Carbon nanotube, Strength, 5-7-7-5 stone-Wales defect Non-linear behavior.
Status : Paper Accepted (Oral Presentation)