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<p>In this study, the tensile deformation behavior of nano-scaled single crystal and polycrystalline (5, 10, and 15-grains) CoCrFeMnNi high entropy alloys is investigated using molecular dynamics simulations. All models are subjected to uniaxial tension along the x-direction at two different temperatures, 300&#xa0;K and 1200&#xa0;K, to examine the influence of temperature on mechanical properties, phase transformations, and dislocation evolution. The results show that increasing temperature significantly reduces the yield strength and ultimate tensile strength. Moreover, the deformation process involves distinct phase transitions and notable variations in dislocation types and densities, which depend strongly on both temperature and grain structure.</p>

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Molecular Dynamics Simulation of Elevated Temperature Deformation Behavior of CoCrFeMnNi High Entropy Alloy

  • 期刊论文

  • 发表日期：

    2026年5月6日

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  • Tuğçe Yıldız,
  • Güldane Ateşoğlu,
  • Ismail Esen

摘要

In this study, the tensile deformation behavior of nano-scaled single crystal and polycrystalline (5, 10, and 15-grains) CoCrFeMnNi high entropy alloys is investigated using molecular dynamics simulations. All models are subjected to uniaxial tension along the x-direction at two different temperatures, 300 K and 1200 K, to examine the influence of temperature on mechanical properties, phase transformations, and dislocation evolution. The results show that increasing temperature significantly reduces the yield strength and ultimate tensile strength. Moreover, the deformation process involves distinct phase transitions and notable variations in dislocation types and densities, which depend strongly on both temperature and grain structure.