Exploring and designing two-dimensional (2D) nanomaterials for armor-piercing protection has become a research focus. Here, by molecular dynamics simulation, we revealed that the ultralight monolayer covalent organic framework (COF), one kind of novel 2D crystalline polymer, possesses superior impact-resistant capability under high-velocity impact. The calculated specific penetration energy is much higher than that of other traditional impact-resistant materials, such as steel, poly(methyl methacrylate), Kevlar, etc. It was found that the hexagonal nanopores integrated by polymer chains have large deformation compatibility resulting from flexible torsion and stretching, which can remarkably contribute to the energy dissipation. In addition, the deformable nanopores can effectively restrain the crack propagation, enable COF to resist multiple impacts. This work uncovers the extreme dynamic responses of COF under high-velocity impact and provides theoretical guidance for designing superstrong 2D polymer-based crystalline nanomaterials.
Keywords: 2D COF; MD simulation; energy dissipation mechanism; fracture mechanism; impact resistance.