Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7151897 | Acta Mechanica Solida Sinica | 2017 | 11 Pages |
Abstract
The single-layer black phosphorus is characterized by its puckered configuration that possesses the hinge-like behavior, which leads to the highly anisotropic in-plane Poisson's ratios and the negative out-of-plane Poisson's ratio. We demonstrate that the hinge-like mechanism can be described by the angle-angle cross interaction, which, combined with the bond stretching and angle bending interactions, is able to provide a good description for the mechanical properties of single-layer black phosphorus. We also propose a nonlinear angle-angle cross interaction, which follows the form of Stillinger-Weber potential and can be advantageous for molecular dynamics simulations of single-layer black phosphorus under large deformation.
Keywords
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Physical Sciences and Engineering
Engineering
Mechanical Engineering
Authors
Jin-Wu Jiang,