Composite interfaces, particularly in joints, play a critical role in the damage resistance and durability of structures for aeronautics applications. This study investigates the use of carbon nanotube (CNT) interleaves for the co-cured joining of composite parts and its effects on fracture toughness and damage progression at the co-cured interface. CNT dispersed in a thermoset resin and partially cured into thin film interleaves at three weight concentrations (0.5% wt., 1% wt., and 2% wt.) of two discrete thicknesses (200 µ and 500 µ) were investigated. The fracture toughness of the co-cured interface with CNT interleaves in mode I and mode II loading conditions was determined through double cantilever beam and end-notched flexure tests, respectively. The results reveal that despite the occurrence of a stick–slip damage progression in mode I, the crack arrest mechanisms and forces are surprisingly predictable based on interleaf thickness. At CNT concentrations above 1% wt., there was no significant enhancement of toughening, and interleaf thickness controlled the crack arrest loads. Damage delay also occurred at the interface due to the activation of multiscale toughening mechanisms. Toughening in mode II was dominated by CNT pullout resistance and, therefore, yielded up to six-fold improvement in critical fracture toughness. These insights offer significant potential for designing joints with nanocomposites for aerospace applications, incorporating inherent toughening and damage delay mechanisms.

Crystalline hydrates of swelling clay minerals (smectites) exhibit a strong coupling between their ion exchange and hydration/dehydration reactions. The uptake or removal of water from smectite interlayers as a result of a change in the environmental conditions also leads to the partitioning of cations. Three factors, the solid ion composition, the solid basal spacing/water content, and the aqueous solution composition, are all implicated in controlling the thermodynamics of ion exchange. However, conventional approaches to measuring the exchange free energy cannot separate the influence of each of these individual factors. Here, we explore the energetics of the swelling and ion exchange reactions in montmorillonite using a potential of mean force approach and the thermodynamic integration method within molecular simulations. We investigate the influence of solution and clay composition on the spontaneity of the reactions, focusing on the 2 water-layer hydration state. The swelling simulations provide the equilibrium water content, interlayer water structure, and basal spacings, while thermodynamic integration of sodium–potassium exchange in the aqueous solution and solid phase are combined to calculate ion exchange free energies as a function of solution composition. Results confirm the tendency of the clay to collapse to lower hydration states as the concentration of the solution increases. Changes to the equilibrium water content, even at fixed hydration states, and the composition of the mixed electrolyte solution play a critical role in driving ion exchange and the selectivities of the clay to the exchanged cation, while the composition of the solid phase is shown to be insignificant. These findings underscore the extreme sensitivity of clay swelling and ion exchange thermodynamics to small (tenths of an Angstrom) deviations in layer spacing.

The carbon fiber/polymer matrix interphase region plays an important role in the behavior and failure initiation of polymer matrix composites and accurate modeling techniques are needed to study the effects of this complex region on the composite response. This paper presents a high fidelity multiscale modeling framework integrating a novel molecular interphase model for the analysis of polymer matrix composites. The interphase model, consisting of voids in multiple graphene layers, enables the physical entanglement between the polymer matrix and the carbon fiber surface. The voids in the graphene layers are generated by intentionally removing carbon atoms, which better represents the irregularity of the carbon fiber surface. The molecular dynamics method calculates the interphase mechanical properties at the nanoscale, which are integrated within a high fidelity micromechanics theory. Additionally, progressive damage and failure theories are used at different scales in the modeling framework to capture scale-dependent failure of the composite. Comparisons between the current molecular interphase model and existing interphase models and experiments demonstrate that the current model captures larger stress gradients across the material interphase. These large stress gradients increase the viscoplasticity and damage effects at the interphase which are necessary for improved prediction of the nonlinear response and multiscale damage in composite materials.