Molecular dynamics (MD) was used to simulate the effect of TiC particles distribution on the tribological behavior of the reinforced composites. The mechanical properties, friction coefficient, number of wear atoms, stress and temperature, and microscopic deformation behavior of TiC/Ni composites during nano-friction were systematically investigated by MD to reveal the effect of TiC distribution on the friction removal mechanism of the material. It was found that the larger the radius of the TiC particles, or the shallower the depth of the TiC particles, the easier it was to generate stress concentrations around the TiC particles, forming a high dislocation density region and promoting the nucleation of dislocations. This leads to severe friction hardening, reducing the atomic number of abrasive chips and reducing the friction coefficient by approximately 6% for every 1 nm reduction in depth, thus improving the anti-wear capacity. However, when the radius of the TiC particles increases and the thickness from the surface deepens, the elastic recovery in material deformation is weakened. We also found that the presence of the TiC particles during the friction process changes the stress state inside the workpiece, putting the TiC particles and the surrounding nickel atoms into a high-temperature state and increasing the concentrated temperature by 30 K for every 1 nm increase in depth. Nevertheless, the workpiece atoms below the TiC particles invariably exist in a low-temperature state, which has a great insulation effect and improves the high-temperature performance of the material. The insight into the wear characteristics of TiC particles distribution provides the basis for a wide range of TiC/Ni applications.
The nano-friction behavior of nickel-based Ag film composites was evaluated using molecular dynamics simulations. The mechanical properties, the surface morphology, the migration behavior of Ag atoms and the defect evolution during repeated friction were investigated. Our results show that the poor mechanical properties of the Ag film surface at the first stage of friction are related to a large amount of abrasive chip pileup. The slip channel with low shear strength formed by secondary friction significantly reduces the friction coefficient of the Ag film surface. Meanwhile, the migration of Ag atoms at the two-phase interface relies mainly on the repeated friction of the grinding ball, and the friction coefficient of the nickel surface decreases as the number of migrating atoms increases. In addition, the extension of defects inside the Ag film and atomic displacement is hindered by the two-phase interface. The defects inside the Ag film near the friction zone gradually evolve from an intrinsic stacking fault to a horizontal stacking fault as the friction proceeds. This is attributed to the horizontal layer-by-layer motion of Ag atoms, promoting the formation of horizontal stacking faults.
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