Comparison of mechanical properties of silicene estimated using different testing procedures: A molecular dynamics study

Silicene, a two-dimensional allotrope and silicon counterpart of graphene, has recently attracted scientists all over the world due to its superior material properties and thus can be a potential applicant as a reinforcing agent. The mechanical properties of silicene have been studied using several testings (tensile, bending, oscillation, and equilibrium) through the molecular dynamics (MD) simulation technique. Plastic flow occurs, and 46% elongation is observed in a silicene sheet with dimensions of (200 × 700) Å for room temperature (298 K) tensile testing. The yield strength, ultimate tensile strength, Young's modulus (E), cohesive energy, and bulk modulus are found to be 18.28 GPa, 23.96 GPa, 5.25 TPa, 3.72 eV atom−1, and 3.62 TPa, respectively. For the same sample, a Poisson ratio of 0.75 is observed. An ultrahigh mechanical strength of silicene, even higher than the previously predicted value of 0.178 TPa, is observed in this study.