Mechanical response of defective AlCoCrFeNi high-entropy alloys: Influence of void geometry and distribution

TN Vu and VT Pham and YJ Hsiao and TH Fang, PHYSICA B-CONDENSED MATTER, 715, 417619 (2025).

DOI: 10.1016/j.physb.2025.417619

This study employs molecular dynamics simulations to systematically investigate the effects of void geometry and spatial distribution on the mechanical response and deformation mechanisms of monocrystalline Al0.3CoCrFeNi high-entropy alloys under uniaxial tensile loading. The results indicate that as the void radius increases, tensile strength, flow stress, Young's modulus, and strain energy (W) tend to decrease while fracture toughness (KIC) increases. Samples with horizontal rectangle (H-rectangle) exhibit the highest tensile strength for a constant defect volume, whereas those with vertical hexagons (V-hexagons) show the lowest. The samples with more voids, such as H-2voids and 4voids, demonstrate better tensile properties. The deformation behavior analysis reveals that voids serve as the primary initiation sites for deformation in defective specimens, with larger void radii leading to an earlier onset of plastic deformation. Shrinkage is lowest in samples with horizontal hexagon (H-hexagon) and V-hexagon pores, while the highest shrinkage is observed in Vertical-2voids and Central-1void samples.

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