Molecular dynamics investigation of shock-induced microstructure evolution in single crystalline CoCrNi medium entropy alloy

YT Li and LP Zhu and L Qiao and SG Ma and TW Zhang and JY Liang and D Zhao and ZH Wang, JOURNAL OF APPLIED PHYSICS, 137, 185102 (2025).

DOI: 10.1063/5.0266046

The atomic-scale deformation mechanisms under shock compression of single-crystal CoCrNi medium entropy alloy were investigated using molecular dynamics simulations. The anisotropic crystal properties significantly influence the elastic-plastic two-wave structure and the evolution of the microstructure. The results indicate that within the impact velocity range of 0.6-1.2 km/s, the 100 orientation exhibits a single-wave structure, although the mechanisms of plastic deformation differ. The plastic deformation of the single-crystal sample along the 100 direction is primarily governed by stacking faults and dislocation slip at lower impact velocities. However, as the shock velocity increases, the deformation mechanism transitions to a phase- transformation-mediated mode. In contrast, along the 110 and 111 directions, elastic-plastic two-wave structures are distinctly observed, accompanied by a plethora of dislocations with dislocation slip and the formation of disordered structures serving as the predominant plastic deformation mechanism. (c) 2025 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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