Role of graphene depth in governing friction and deformation in AlCrFeCuNi high-entropy alloy

DQ Doan and DT Truong and VH Nguyen, MATERIALS TODAY COMMUNICATIONS, 48, 113698 (2025).

DOI: 10.1016/j.mtcomm.2025.113698

This study investigates the effect of an embedded graphene layer on the mechanical and tribological behavior of AlCrFeCuNi high-entropy alloy (HEA) through molecular dynamics simulations of nanoscale scratching. The graphene layer is embedded at varying depths to determine the optimal configuration for enhancing mechanical performance. The results show that the embedding depth significantly influences cutting forces, friction behavior, dislocation activity, temperature distribution, atomic displacement, and wear morphology. Among all cases, embedding graphene at d = 20 angstrom yields the most favorable outcomes, including the lowest friction force (similar to 146.5 nN), minimal subsurface shear strain, reduced dislocation length, and limited thermal and mechanical damage. This depth provides a balance between surface reinforcement and subsurface stress blocking. Additional simulations under different temperature conditions demonstrate that rising temperature leads to reduced cutting resistance due to thermal softening but increases atomic mobility, amorphization, and material flow. Nevertheless, the graphene layer remains effective in restricting deep plastic deformation even at high temperatures. These findings emphasize the crucial roles of graphene positioning and operating temperature in optimizing scratch resistance in HEA/graphene systems, offering useful insights for designing advanced, wear-resistant nanocomposites for extreme-service applications.

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