Atomic-Scale Mechanisms of Material Removal and Microstructural Evolution During Nanocutting of Al80Ti(20−x)Nix alloys: A Molecular Dynamics Study
摘要
Aluminum-based alloys have become integral to the aerospace industry due to their outstanding properties and adaptability. Alloying elements play a vital role in tailoring their processing characteristics and enhancing performance. This study used molecular dynamics (MD) simulations with LAMMPS to investigate material removal and microstructural evolution during the nanocutting of polycrystalline Al80Ti(20−x)Nix alloys. The research focused on the effects of cutting parameters and Ni/Ti ratios on cutting forces, thermal behavior, stress and strain distributions, atomic structure evolution, and dislocation dynamics. The results reveal that increasing Ni content while decreasing Ti stabilizes cutting forces and reduces alloy brittleness, leading to improved surface quality. As cutting depth increases from 10 to 25 Å, the temperature rise ranges from 2.8 to 3.6%, reflecting the influence of cutting depth on thermal effects. Alloys with higher Ni content exhibit greater Von Mises stress during cutting, indicating heightened material strength under stress. Cutting speed and depth significantly affect deformation behavior. Higher speeds reduce shear strain and narrow shear bands while increasing chip strain and promoting tensile deformation. In contrast, greater cutting depths elevate Von Mises stress in the subsurface layer, which impacts material durability and strength. Atomic structure changes, particularly in the body-centered cubic (BCC) and hexagonal close-packed (HCP) phases, are strongly influenced by Ni/Ti ratios and cutting conditions. For example, at x = 5, increasing the cutting speed from 50 to 200 m/s results in an 11.2% increase in BCC atoms and a 33.7% decrease in HCP atoms, demonstrating the dynamic interplay between material composition and machining parameters. This study highlights the critical role of Ni/Ti ratios and cutting conditions in determining the nanocutting performance and surface integrity of Al80Ti(20−x)Nix alloys. The findings offer practical insights for optimizing aluminum-based alloy design and processing, particularly for advanced aerospace applications.