Mechanical properties of C3N nanotubes

C3N (2D polyaniline or cyanoethynyl) is a 2D monocrystalline carbon nitride that exhibits mechanical properties comparable to those of graphene and hexagonal boron nitride. Research on its mechanical properties in the nanotube form (C3NNT), however, is still very limited to confirm its viability for, e.g., biomedical and structural applications. Addressing this knowledge gap, this paper investigates the compressive and tensile responses of single-walled C3NNTs using molecular dynamics (MD) simulations. The influences of the slenderness ratio, size, and principal direction of C3NNTs, strain rate, and temperature are considered. The results indicate that higher slender ratios considerably lower C3NNTs' buckling stress and strain but do not influence their elastic modulus. The tensile strength and strain at failure of C3NNTs are observed to be largely independent of diameter and strain rate, especially at lower temperatures. However, the tensile elastic modulus slightly increases by increasing diameter and reducing the strain rate. Increasing temperature substantially reduces the compressive and tensile properties of C3NNTs. In general, C3NNTs exhibit weaker mechanical properties compared with carbon nanotubes. [Display omitted] •Compressive and tensile responses of single-walled C3NNTs were studied using molecular dynamics (MD) simulations.•Increasing the slender ratio lowered C3NNTs’ buckling stress and strain but did not influence their elastic modulus.•The tensile strength and strain at failure of C3NNTs were found to be largely independent of diameter and strain rate.•C3NNTs exhibit weaker mechanical properties compared with carbon nanotubes.