Debonding mechanism of multilayer graphene/GO sheets in nanomaterial- reinforced cementitious composites

Y Yang and J Cao and SL He and GH Zhang and Y Wang and PW Wu, SURFACES AND INTERFACES, 59, 105934 (2025).

DOI: 10.1016/j.surfin.2025.105934

Graphene and graphene-oxide (GO) can significantly enhance mechanical properties of concrete, and mostly in a multilayered form within cement. The delamination of graphene/GO in cementitious composites will affect the working performance of composites. Based on steered molecular dynamic (MD) simulation, the maximum peel force and work of multilayer graphene/GO were investigated to explore interfacial debonding mechanisms. When the size of the sheet is small (in a free mode), an increase in the number of layers leads to an elevation in the maximum pulling force required, whereas the pulling work decreases. The correlation value of GO is larger than that of graphene. When the sheet size is large (pseudo large-size in a fixed mode), both the maximum pulling force and pulling work raise with the increase in the number of layers. As the number of layers increases, separation becomes difficult to occur. By analyzing deformation behavior, bending geometry, and vibrational entropy, the performance disparities between graphene /GO with varying layers. Exploring the debonding behavior of nano multilayer structures in cementitious composites can provide theoretical basis for selecting appropriate layers and sheet sizes.

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