Shuozhi Xu

Using hybrid molecular dynamics and Monte Carlo simulations, we examine the role of lattice distortion (LD) and chemical short-range ordering (CSRO) on the development of defects ahead of a mode I crack in medium entropy alloy CoCrNi. We show that CSRO noticeably increases fracture toughness. The result can be explained by the effect of CSRO on lowering LD and increasing intrinsic stacking fault energy and the direct impact CSRO has on the energetic barriers for emitting partial dislocations and forming nanotwins from CoCr clusters on the crack tip. CSRO allows the nanotwin domains to further support inelastic deformation, such as dislocation glide and amorphization, leading to stable crack-tip plasticity and postponement of softening. These findings imply that the superior fracture toughness in CoCrNi can be attributed to the non-negligible CSRO that naturally exists.