Atomic-scale study of linear reciprocating friction of TCP/γ phase in nickel-based single crystal alloy

In order to systematically investigate the role of TCP (topologically close-packed) phases in the fretting wear process of nickel-based single crystal alloys (NBSC), this study employed molecular dynamics to conduct comparative analyses of mechanical properties, atomic displacements, wear depth, defects, dislocation density, and the influence of temperature under constant load on the friction process in material wear. The research revealed that during the repetitive friction process, the friction force exhibited a peak at the extreme positions of reciprocating friction on the workpieces, and this peak increased with the number of friction cycles. The dislocation density in the worn area increased, resulting in hardening, and the removal rate of material decreased. At the initial stages of friction, the presence of interfaces notably hindered the transfer of temperature, defects, and atomic displacements in the workpiece, and this inhibitory effect weakened with an increasing number of friction cycles. The TCP phases experienced stratification due to the overall deformation they underwent. Furthermore, as the relaxation temperature increased, the workpiece exhibited enhanced plastic deformation capacity, an increase in dislocation density, and adhesion between abrasive particles and the grinding ball occurred.