Molecular dynamics investigation on the mechanical properties of a novel 2D carbon allotrope: Planar net-τ nanoribbon

Abstract

This study is focused on investigating of the mechanical properties of a recently discovered two-dimensional carbon allotrope, known as planar net-τ, through molecular dynamics simulations. The planar net-τ is a unique and unexplored carbon configuration known for its intricate network of carbon atoms arranged in a planar lattice. The study aims to improve understanding of the mechanical properties of planar net-τ. This includes investigating parameters such as Young's modulus, fracture strain, ultimate strength, strain at ultimate stress, and the stress-strain curve. This study achieves this by deliberately manipulating of variables, such as introduction of vacancy defects, altering temperature, and dimensional adjustments. Vacancy defects in 2D carbon allotropes significantly impair their mechanical properties, reducing stiffness and increasing mechanical failure. Changes in dimensions further impact these properties through contraction, affecting strength and elasticity. These results highlight the anisotropic nature of these structures.