Atomistic Modeling of Mechanical Characteristics of CNT-Polyethylene with Interfacial Covalent Interaction

Figure 1

(a) The comparison of stress-strain curve of the (6, 6) single-walled carbon nanotube of a length = 4.92 nm and a diameter = 0.68 nm predicted by ReaxFF force field with the experimental data [23]. (b) The comparison of stress-strain curve of the (6, 6) (11, 11) two-walled carbon nanotube of a length = 4.92 nm and an outer diameter = 1.5 nm predicted by ReaxFF force field with the experimental data [24].

(a)

(b)