Impact of defects on the mechanical characteristics of two-dimensional nanoporous boron nitride membranes

Tóm tắt

This study investigates the effect of vacancy defects on the tensile properties of monolayer h-BN under uniaxial loading conditions, using molecular dynamics simulations. The analysis focuses on two key defect parameters: the length of the vacancy and the rotation angle of the defect with respect to the loading direction.  The findings indicate that the frequency and extent of phase transition are influenced by the defect length and the direction of applied tension. Vacancy defects reduce rupture strain by causing stress concentrations that cause crack initiation at the defect region. As defect length increases in a direction perpendicular to the applied load, there is a noticeable reduction in Elastic modulus, maximum strength, and rupture strain, although no consistent trend is observed. Additionally, maintaining a constant defect size while changing the rotation angle (θ) reveals a similar pattern: increasing θ tends to reduce the Elastic modulus, maximum strength, and rupture strain.