Reinforcement of aluminum metal matrix composites through graphene and graphene-like monolayers: a first-principles study

Abstract

The pursuit of advanced materials with superior properties is a key focus in aerospace engineering, where enhancing the performance of lightweight, high-strength materials like aluminum is crucial. Reinforcing aluminum with strong materials, particularly two-dimensional monolayers such as graphene, silicon carbide, phosphorus-doped graphene, and boron nitride, offers a promising approach for over-coming aluminum's limitations, including susceptibility to fatigue and stress corrosion. This study employs density functional theory (DFT) to calculate the interfacial binding energy, fracture energy, charge transfer, and band structure between aluminum and these 2D monolayers, aiming to optimize the material properties for aerospace applications. Results indicate that silicon carbide and phosphorus-doped graphene would be the most beneficial for industrial use, having both great strength and strong bonds between layers. In contrast, pure graphene and boron nitride demonstrate weaker bonds with aluminum, suggesting limited suitability for applications requiring robust interfacial interactions. Our findings contribute to the fundamental understanding of interactions between reinforcing monolayers and aluminum metal matrix composites, while opening pathways for the design of high-strength, low-weight aluminum-based materials in areas such as aerospace.