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<p>Understanding and improving the mechanical reliability of high entropy alloys (HEAs) under cyclic loading is essential for their application in demanding structural environments. This study investigates the influence of cyclic preloading on the mechanical behavior and microstructural evolution of HEAs using molecular dynamics simulations. Three models, namely, the as-constructed state, 5th-cycle, and 10th-cycle, were subjected to uniaxial tensile loading. The results show that cyclic loading enhances both strength and ductility, as reflected by increased ultimate tensile strength, elevated flow stress, and reduced stress drop. Microstructural analysis reveals that cyclically preloaded models exhibit earlier FCC to HCP-like phase transformation, higher dislocation density, delayed shear transformation zone nucleation, and more dispersed shear strain fields. In addition, the 10th-cycle model maintains the lowest average atomic potential energy throughout deformation, indicating improved structural stability and more efficient energy dissipation. These synergistic effects contribute to enhanced strain hardening and plastic flow stability. The findings provide atomic level insights into cyclic strengthening mechanisms and suggest that cyclic preconditioning is a practical strategy to optimize the mechanical performance of HEAs for advanced engineering applications.</p>

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Influence of Cyclic Preloading on Strength--Ductility Synergy and Deformation Mechanisms in High Entropy Alloys: A Molecular Dynamics Investigation

  • 期刊论文

  • 发表日期：

    2026年4月14日

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  • Wei Luo,
  • Peng-wei Wang,
  • Qian-xi Ni,
  • Ming-fei Li,
  • Cheng Quan,
  • Cheng-Long Lei

摘要

Understanding and improving the mechanical reliability of high entropy alloys (HEAs) under cyclic loading is essential for their application in demanding structural environments. This study investigates the influence of cyclic preloading on the mechanical behavior and microstructural evolution of HEAs using molecular dynamics simulations. Three models, namely, the as-constructed state, 5th-cycle, and 10th-cycle, were subjected to uniaxial tensile loading. The results show that cyclic loading enhances both strength and ductility, as reflected by increased ultimate tensile strength, elevated flow stress, and reduced stress drop. Microstructural analysis reveals that cyclically preloaded models exhibit earlier FCC to HCP-like phase transformation, higher dislocation density, delayed shear transformation zone nucleation, and more dispersed shear strain fields. In addition, the 10th-cycle model maintains the lowest average atomic potential energy throughout deformation, indicating improved structural stability and more efficient energy dissipation. These synergistic effects contribute to enhanced strain hardening and plastic flow stability. The findings provide atomic level insights into cyclic strengthening mechanisms and suggest that cyclic preconditioning is a practical strategy to optimize the mechanical performance of HEAs for advanced engineering applications.