Modeling the Mechanical Properties of Functionalized Carbon Nanotubes and Their Composites: Design at the Atomic Level

Table 2

Mechanical properties of F-CNTs with different functionalized configurations.

	CNT	F-CNT-1	F-CNT-2	F-CNT-3	F-CNT-4
Critical buckling strain	0.058	0.062	0.062	0.061	0.053
Maximum stress (GPa)	125	68	67	67	60
Maximum potential energy increment (eV)	73.70	72.96	70.00	72.50	57.74