Deformation and Failure of MXene Nanosheets

This work is aimed at the development of finite element models and prediction of the mechanical behavior of MXene nanosheets. Using LS-Dyna Explicit software, a finite element model was designed to simulate the nanoindentation process of a two-dimensional MXene Ti₃C₂T_z monolayer flake and to validate the material model. For the evaluation of the adhesive strength of the free-standing Ti₃C₂T_z-based film, the model comprised single-layered MXene nanosheets with a specific number of individual flakes, and the reverse engineering method with a curve fitting approach was used. The interlaminar shear strength, in-plane stiffness, and shear energy release rate of MXene film were predicted using this approach. The results of the sensitivity analysis showed that interlaminar shear strength and in-plane stiffness have the largest influence on the mechanical behavior of MXene film under tension, while the shear energy release rate mainly affects the interlaminar damage properties of nanosheets.