Graphene-reinforced aluminum matrix composites: molecular dynamics simulation of strengthening and toughening under compression

JZ Zhu and ZX Xing and K Wang and HJ Li and J Wang, JOURNAL OF MATERIALS SCIENCE, 60, 25239-25253 (2025).

DOI: 10.1007/s10853-025-11827-0

To address the pronounced susceptibility of aluminum-based armature materials to deformation failure under high-speed impacts in electromagnetic launch systems, this study develops a hierarchical graphene (Gr)/aluminum (Al) composite model. Employing molecular dynamics simulations via LAMMPS, we systematically investigate the influence mechanisms of Gr content (1.82-7.45 wt%), interlayer spacing (0-7 nm), and temperature (300-900 K) on compressive properties. Results indicate that Gr doping markedly enhances the yield strength and strain of the Al matrix by impeding dislocation motion. The optimal toughening effect occurs at 3.66 wt% Gr content, improving plastic deformation resistance by 28.57% over pure Al. At a Gr interlayer spacing of 3 nm, yield stress increases by 48.2% versus pure Al, with the dislocation- blocking effect persisting even at elevated temperatures. Microscopic analysis reveals that the two-dimensional Gr network synergistically balances strength and toughness through interfacial reinforcement and dislocation hindrance. This work demonstrates that optimizing Gr spatial distribution achieves an effective strength-ductility trade-off. The proposed hierarchical model offers theoretical guidance for developing impact-resistant Al armatures, delivering significant engineering value for performance optimization in electromagnetic launch systems.

Return to Publications page