This thesis reports the effects of incorporating graphite nanoplatelets (GNPs) to epoxy-carbon fibre (CF) laminates to produce multiscale composites. A grade of epoxy resin typical for the application in aerospace engineering, triglycidyl-p-aminophenol (TGPAP), was used in this work cured with 4,4'-diaminodiphenyl sulfone (DDS). To improve the processability of TGPAP, a diluent, the diglycidyl ether of bisphenol F (DGEBF), was added to formulations. Compositions of TGPAP/DGEBF/DDS were optimised using response surface methodology (RSM) with the target response being to obtain high glass transition temperature (Tg) and low resin viscosity. From RSM, the optimum values were obtained at 55.6 wt. % of DGEBF and a stoichiometric ratio of 0.60. Before addition into epoxy, GNPs were treated either covalently using 3-aminopropyltriethoxysilane (APTS) or non-covalently using a commercial surfactant, Triton X-100 (abbreviated as A-GNPs and T-GNPs, respectively). After treatment, XPS analysis showed a new peak at 100 eV for A-GNPs indicating silicon and the C/O ratio increased from 11.0 to 26.2 for T-GNPs relative to unmodified GNPs (U-GNPs), suggesting attachment of the modifier molecules had occurred. Nanocomposites (NCs) were prepared by incorporate GNPs into epoxy using mechanical mixing. Rheological percolation threshold of GNP-epoxy suspensions were determined using oscillatory-shear rheometry as 3.9 wt. % for AR-GNPs, 3.6 wt. % for U-GNPs, 3.2 wt. % for A-GNPs and 3.5 wt. % for T-GNPs, suggesting surface treatment improved dispersion. At 4 wt. % of GNPs, flexural strain of NCs was decreased relative to neat epoxy by 46% for AR-GNPs, 48.6% for U-GNPs, 4.6% for A-GNPs and 30.8% for T-GNPs but flexural moduli showed small increases of 6.1-7.4%. Fracture toughness (K1C) also improved. For example, the K1C increased from 0.80 ± 0.04 MPa.m1/2 for neat epoxy to 1.32 ± 0.01 MPa.m1/2 for NCs containing 6 wt. % of U-GNPs possibly due to the branching of cracks resulting from the embedded GNPs. Due to their mechanical performance, A-GNPs were used to fabricate epoxy/CF/A-GNPs multiscale composites. Multiscale composites showed inferior properties relative to a comparable conventional composite in flexural testing, interlaminar shear strength (ILSS) and interlaminar fracture toughness mode II (G11C) due to weaker bonding at the matrix-CF interface. However, multiscale composites showed ~40% higher capability than conventional composite to absorb energy during impact due to greater interfaces formed by the inclusion of A-GNPs into the system.

Les applications des nanoparticules métalliques nécessitent des assemblées monodisperses et stables sur un substrat tel que le graphène ou le graphite. Le graphène épitaxié sur métal (GEM) est étudié, car il facilite l'auto-organisation des adsorbats. La différence entre les mailles du graphène et du métal conduit à un effet de moiré contenant certaines régions favorables de l'adsorption. Ce travail est consacré surtout aux systèmes Ru-C et Pt-C où nous nous sommes intéressé au substrat du GEM nu, des agrégats y etant deposés et des agrégats métalliques sur graphite. Les potentiels d'ordre de liason permettent de mener des études en dynamique moléculaire sur des systèmes de taille réaliste à température finie. Dans le cas du système Pt-C une paramétrisation est disponible dans la littérature. Cependant, pour le système du Ru-C une paramétrisation sur la base de données DFT était nécessaire. Ce modèle atomistique néglige les forces de dispersion importantes pour des milieux étendus. Basé sur les modèles de Grimme, nous avons développé une description implicite tenant compte de la structure du substrat et son extension semi-infinie. De plus les effets d'écrantage importants pour des milieux métalliques sont pris en compte. Basé sur ce champ de force nous montrons des propriétés des adsorbats sur des substrats carbonés où nous évaluons le modèle de forces de dispersion. Grâce à des simulations de dynamique moléculaire, la stabilité des adsorbats et du graphène a été étudié dans le contexte de la dynamique vibrationnelle et de diffusion. En accord avec les expériences, la mobilité des adsorbats sur graphite s'avère élevée en comparaison avec des adsorbats sur GEM / Applications of metal nanoparticles require monodisperse and stable assemblies on a substrate such as graphene or graphite. Epitaxial graphene on metal (GOM) has attracted research interest because it contributes to the self-organisation of adsorbates. The difference in the lattice constants of graphene and metal leads to a moiré that contains certain regions that are favorable for adsorption. This work is mainly concerned with the Ru-C and Pt-C systems where we were interested in the bare substrate of GOM, adsorbates deposited thereon and metal clusters on graphite. Bond order potentials allow to carry out molecular dynamics studies for systems of realistic size and at finite temperature. In the case of the Pt-C, a parametrization is available in the literature. However, for Ru-C systems a custom parametrization effort based on data from electronic structure calculations was necessary. This atomistic model neglects long ranged dispersion forces that are important for adsorption phenomena on extended substrates. Based on the Grimme models, we developed an implicit description that takes the layered structure and the semi-infinite extension of the substrate into account. Also, screening effects that are important for metal materials are taken into account. Based on this force field, we show results concerning the properties of adsorbates on carbon substrates while evaluating the dispersion model. With the help of molecular dynamics simulations, the stability of adsorbates and graphene has been studied in the context of vibrational and diffusion dynamics. In agreement with experiments, the mobility of the adsorbates on graphite is high in comparison with adsorbates on GOM

No description available.