Atomistic simulations on the mechanical properties of silicene nanoribbons under uniaxial tension.

In the article by Yuhang Jing et al. (pp. 1505–1509), the chirality and size effects on the mechanical properties of silicene nanoribbons are investigated based on atomistic simulation. Compared with ab initio calculations, the EDIP model of bulk silicene gives a more accurate Young's modulus than other empirical potentials. The chirality has a signifi cant effect on the critical strain and stress of bulk silicene under uniaxial tension. In addition, compared to zigzag edge, the armchair edge is weaker and has bigger effects on the Young's modulus of silicene nanoribbons when the nanoribbon width is smaller, which results in signifi cantly size‐ and chirality‐dependent Young's modulus of silicene nanoribbons. The fracture process of a silicene nanoribbon shows that as the strain increases to a certain value, sliding occurs and many atoms rearrange in the neck region. The deformation mechanism of the shearing action is similar to that of silicon nanowire. After the formation of the neck, plastic deformations mainly happen through the reconstruction and rearrangement of the neck region. Further theoretical and experimental studies are needed to investigate the mechanical properties of this new two‐dimensional silicon nanomaterial. [ABSTRACT FROM AUTHOR]