Effect of Humidity on Interfacial Debonding Behavior Between Larger Graphene Sheet and Cement-Based Composites

This paper investigates the interface debonding behavior of graphene (G) on a calcium silicate hydrate (C-S-H) substrate using molecular dynamics (MD) simulations. The effect of interfacial water content on the debonding behavior of graphene on cement-based composites was studied. Simulation results reveal that there is only a van der Waals force between G and C-S-H; the interface bonding strength is weak; and the debonding properties (maximum peeling force (Fmax) and work (W)) are low. The debonding energy of graphene decreases with an increase in interfacial water content, indicating that water intrusion will weaken the binding effect of G and C-S-H, and reduce the difficulty of graphene’s debonding on a C-S-H substrate. Exploring the adhesion behavior of graphene on C-S-H under the influence of humidity at the nanoscale is of great significance for understanding the basic adhesion mechanism, optimizing composite material properties, and promoting the development of related disciplines.