Modeling the Nano-indentation of Self-healing Materials

We use computational modeling to determine the mechanical response of crosslinked nanogels to an atomic force microscope (AFM) tip that is moved through the sample. We focus on two-dimensional systems where the nanogels are interconnected by both strong and labile bonds. We model each nanogel as a deformable particle using the modified lattice spring model that is applicable to a broad range of elastic materials.We utilize the Bell model to describe the bonds between these nanogel particles, and subsequently, simulate the rupturing of bonds due the force exerted by the moving indenter. The ruptured labile bonds can readily reform and thus, can effectively mend the cavities formed by the moving AFM tip. We determine how the fraction of labile bonds, the nanogel stiffness, and the size and velocity of the moving tip affect the self-healing behavior of the material. We find that samples containing just 10$\%$ of labile bonds can heal to approximately 90$\%$ of their original, undeformed morphology.