Effect of Al₂Cu constituent layer thickness discrepancy on the tensile mechanical behavior of Cu/Al₂Cu/Al layered composites: a molecular dynamics simulation

Abstract

Nano-polycrystalline Cu/Al2Cu/Al layered composites with different layer thicknesses d of single-crystal Al2Cu constituent are constructed. The effects of d on the strength and fracture modes of nano-polycrystalline Cu/Al2Cu/Al layered composites are systematically investigated by molecular dynamics (MD) simulations. The uniaxial tensile results show that the ultimate strength and fracture mode of the nano-polycrystalline Cu/Al2Cu/Al layered composites do not change monotonically with the change of single crystal Al2Cu constituent layer thickness d, the ultimate strength peaking at d=2.44 nm, and the toughness reaching the optimum at d=4.88 nm. The improvement of deformation incompatibility between Cu, Al and Al2Cu components increases the ultimate strength of polycrystalline Cu/Al2Cu/Al laminated composites. Due to the high activity of Cu dislocation and the uniformity of strain distribution of single crystal Al2Cu, the fracture of nano-crystalline Cu/Al2Cu/Al layered composites changes from brittleness to toughness. This study is crucial to establish the organic connection between microstructure and macroscopic properties of Cu/Al layered composites. To provide theoretical basis and technical support for the application of Cu/Al layered composites in high-end fields, such as automotive and marine, aerospace and defense industries.