High Impact Resistance of 2D MXene with Multiple Fracture Modes

Two-dimensional (2D) transition metal carbides/nitrides (MXenes) are promising nanomaterials due to their remarkable mechanical and electrical properties. However, the out-of-plane mechanical properties of MXene under impact loading remain unclear. Here, particular impact-resistant fracture behaviors and energy dissipation mechanisms of MXene were systemically investigated via molecular dynamics (MD) simulation. Specifically, it was found that the specific penetration energy of MXene exceeds most conventional impact-resistant materials, such as aluminum and polycarbonate. Two kinds of novel energy dissipation mechanisms, including radial fracture and crushed fracture under different impact velocities, are revealed. In addition, the sandwiched atomic-layer structure of MXene can deflect cracks and restrain their propagation to some extent, enabling the cracked MXene to retain remarkable resistance. This work provides in-depth insights into the impact-resistance of MXene, laying a foundation for its future applications.

Automated summary

In this study, the impact-resistant fracture behaviors and energy dissipation mechanisms of MXene were systematically investigated using molecular dynamics simulation. It was found that MXene exhibits a specific penetration energy surpassing conventional impact-resistant materials, and two novel energy dissipation mechanisms were revealed. Furthermore, the atomic-layer structure of MXene can restrain crack propagation, enabling it to retain remarkable resistance.