Studying mechanical behavior of non-wrinkled phosphorene nanotubes under uniaxial loading

Recently, phosphorene nanotubes like carbon nanotubes have been attracted much interest due to their superior mechanical, thermal, and electrical properties. Studying the mechanical behavior and material properties of such nano-structures is highly significant. Thus, in this research, the tensile and compressive behavior of phosphorene nanotubes is firstly simulated using molecular dynamics method and the effects of geometrical parameters on the mechanical behavior are studied. The impacts of diameter change on the tensile behavior and the influences of aspect ratio on the buckling behavior of the flat phosphorene nanotubes exhibit that the tensile strength increases for the larger diameters while the compressive strength decreases with increase of the aspect ratio. Subsequently, as a pioneering work in this field, the effects of defects on the tensile and compressive behavior of the nanotubes are investigated. The results demonstrate that the defects considerably decrease the tensile and buckling strength of the nanotubes. Also, it is seen that the buckling behavior is more sensitive to existing defects in comparison to the tensile behavior, such that 13.5 and 4.3 percentages drop of the compressive and tensile strengths are observed by removing mono-atom and a group of 2% atoms, respectively.