Effect of grain size, temperature, and tensile strain rate on mechanical response of CoCrNi medium-entropy alloys

Grain boundary (GB) strengthening of metallic materials faces limitations as grain sizes are reduced to the nanoscale, primarily due to the transition from the strengthening to the softening effects. Understanding the intrinsic mechanisms behind such pronounced transitions is essential for optimizing the mechanical properties of nanocrystalline (NC) alloys. In this work, the critical grain size responsible for this transition is determined for NC CoCrNi medium-entropy alloys using molecular dynamics simulation, and the underlying mechanisms concerning varying temperatures and strain rates are systematically investigated for the samples with the critical grain size. The transition from Hall-Petch (HP) strengthening to Inverse Hall-Petch (IHP) softening is established by decreasing the average grain sizes from 21 nm to 3 nm. The critical grain size for the current alloys is estimated to be 12 nm, and the underlying deformation mechanisms are illustrated as follows: In the IHP regime, GB-mediated deformation becomes dominant, leading to softening. Conversely, in the HP regime, dislocation slip dominates the deformation mode, contributing to strengthening. It is found that an increase in temperature from 77 K to 1100 K leads to a decrease in the average flow stress and Young's modulus. Meanwhile, the deformation mechanisms change from dislocation slip (77K–700K) to GB-mediated deformation (700 K–1100 K). Furthermore, the underlying mechanisms correlating to the critical strain rate are uncovered. It can be attributed to the shift in deformation mechanisms from dislocation slip at relatively low strain rate regimes (5 × 107 s−1-2 × 109 s−1) to dislocation drag at relatively high strain rate regimes (2 × 109 s−1-5 × 109 s−1). Our atomistic insights into the tensile response of NC CoCrNi may provide a crucial basis for designing superior properties to meet the growing demands of advanced engineering fields.