Molecular Dynamics Study on the Effect of Twin Spacing on Mechanical Properties and Deformation Mechanisms of CoCrNi Medium-Entropy Alloys

In this study, the continuous strengthening behavior of CoCrNi medium-entropy alloy at 1.2–4.2 nm twin spacings was revealed by molecular dynamics simulation. It was found that the yield strength increased linearly with the decrease in twin spacing, up to 12.526 GPa, and there was no softening inflection point. The strengthening mechanism is mainly due to the effective obstruction of coherent twin boundaries (TBs) to the dislocation slip, especially the stair-rod and Lomer–Cottrell lock structures generated by ISF and ESF stacking faults when crossing the interface. These structures significantly enhance the work-hardening capacity of the alloy by inducing dislocation stacking, although the very dense twin boundary will reduce the dislocation growth rate by limiting dislocation propagation. This precise interface control provides an important atomic-scale basis for the design of novel high-strength and high-work-hardening alloys.