Research on correlation of mechanical properties of BN-Graphene-BN/BN vertically-stacked nanostructure in the presence of interlayer sp3 bonds and nanopores with temperature
In this paper, we investigate the coupling of internal field (defect field-sp3 bonds and nanopores) and external field (strain and temperature). At the same time, we provide a design idea of hybrid materials. The mechanical properties of hybrid materials under the condition of internal and external field coupling were studied. When nanopores and sp3 bonds are considered simultaneously, we found that internal (sp3 bonds and defects) and external field (Temperature and strain fields) have the negative chain reaction on the mechanical properties of BN-Graphene-BN/BN vertically-stacked nanostructure, and the negative chain reaction will gradually increase with the change of parameters (such as the increase of temperature). The sp3 bonds can be regarded as a special defect, which will increase the initial strain of the system. In addition, the mechanical properties of the nanostructure containing square nanopore in the boron nitride region are most sensitive to temperature change, relative to nanopore in other two regions. Atoms (around square nanopore) are more likely to overcome the binding energy and lose stability from the inherent equilibrium position, relative to that of circular nanopore.