Mechanical properties investigation of monolayer h-BN sheet under in-plane shear displacement using molecular dynamics simulations

Abstract

The mechanical properties, including wrinkling patterns and fracture behavior, of monolayer h-BN sheets have been investigated using classic molecular dynamics simulations and continuum model. The wrinkling pattern formation and evolution have been first explored. The dependences of the wrinkling shape, amplitude, and wavelength, as well as wrinkling number on shear displacement are extensively elucidated. The influences of geometry and shear load direction, as well as temperature, on the fracture behavior have also been studied to obtain further insights into the properties of the monolayer h-BN sheets.