Wrinkling C3N nano-grids in uniaxial tensile testing; a molecular dynamics study

摘要

Two-dimensional materials in recent years have found a special place in various sciences. Graphene, as the first two-dimensional material presented, has been able to reduce the size of electronic devices from what it was. Following successful successive graphene experiments, carbon-nitride materials such as C3N and C3N4 have been considered, which can have significant properties in nanoelectromechanical applications with regard to nitrogen doped in the graphene structure. In such applications, the first issue to be considered is the strength of the structure. For this purpose, in this paper, the mechanical properties and the strengths and weaknesses of the C3N nano-grids are evaluated using the molecular dynamics method. After verifying the used model, stress-strain diagrams of the structure are drawn in different states and the effects of circular and square holes in the C3N nano-grids are discussed. The stress distribution is depicted and it is seen that in certain dimensions, the type of strain energy release is different from others. The inductive shrinkage due to stretching is the most important reason for this, and it has finally been observed that the presence of holes of dimensions of 1.8 to 3 nm causes regular wrinkles in the structure, which can be remarkable for the construction of large area C3N nano-grids.