This study aims to simulate the influence of different shapes and distribution states of Laves phases on the friction-wear behavior of nickel-based alloys using molecular dynamics (MD). The investigation systematically examined the mechanical properties, friction coefficient, number of worn atoms, dislocations, temperature, and other micro-deformation behaviors of materials incorporating horizontally and vertically distributed short rod-shaped, spherical, and short strip-shaped Laves phases. The presence of the Laves phase significantly impedes temperature transfer, defect motion, and atomic displacement in the workpiece, resulting in reduced dislocation glide rate and shorter average dislocation lengths. High dislocation densities accumulate at the Laves/γ phase interface, enhancing surface wear resistance. The short rod-shaped Laves phase, due to its large surface area at the Laves/γ interface, impedes defect motion more effectively than spherical and short strip-shaped phases. dislocation tangle, higher friction force, fewer worn atoms, a higher friction coefficient, and improved wear resistance. However, vertically distributed short strip-shaped and short rod-shaped Laves phases exhibit less effective defect interaction, resulting in increased wear and significant deformation. The spherical Laves phase, with its geometric symmetry, shows consistent wear resistance regardless of distribution state. Short rod-shaped Laves phase provides the best reinforcement due to its effective defect motion impedance, while the spherical Laves phase offers stable performance across different distribution states, making it the most suitable shape for Laves phase reinforcement.
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