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<p>The mechanical properties and microstructure of γ-Fe crystals with three typical crystal planes were analyzed by molecular dynamics in this paper. The calculated results show that, the hardness and elastic modulus of the γ-Fe(100) crystal plane are the lowest, being 5.83 and 472.1&#xa0;GPa, respectively; while those of the γ-Fe(111) crystal plane are the highest, at 6.55 and 533.5&#xa0;Gpa, respectively. There is a significant accumulation of stress bands on the γ-Fe(100) crystal plane and the γ-Fe(110) crystal plane, while the internal stress on the γ-Fe(111) crystal plane does not change direction significantly. As the relative displacement of the indenter increases, the maximum dislocation density of the γ-Fe(100) crystal plane is 1.29&#xa0;nm<sup>−2</sup>, while that of the γ-Fe(111) crystal plane is 1.23&#xa0;nm<sup>−2</sup>. In conclusion, during the nanoindentation process, the γ-Fe(100) crystal plane is prone to undergo elastic–plastic deformation, while the γ-Fe(111) crystal plane has poorer plasticity.</p>

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Effect of crystal plane orientation on nanoindentation properties of γ-Fe: insights from molecular dynamics simulation

  • 期刊论文

  • 发表日期：

    2026年8月5日

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  • Jia Geng,
  • Qizhen He,
  • Xiaowen Qi,
  • Xuejun Ren,
  • Qingxiang Yang

摘要

The mechanical properties and microstructure of γ-Fe crystals with three typical crystal planes were analyzed by molecular dynamics in this paper. The calculated results show that, the hardness and elastic modulus of the γ-Fe(100) crystal plane are the lowest, being 5.83 and 472.1 GPa, respectively; while those of the γ-Fe(111) crystal plane are the highest, at 6.55 and 533.5 Gpa, respectively. There is a significant accumulation of stress bands on the γ-Fe(100) crystal plane and the γ-Fe(110) crystal plane, while the internal stress on the γ-Fe(111) crystal plane does not change direction significantly. As the relative displacement of the indenter increases, the maximum dislocation density of the γ-Fe(100) crystal plane is 1.29 nm−2, while that of the γ-Fe(111) crystal plane is 1.23 nm−2. In conclusion, during the nanoindentation process, the γ-Fe(100) crystal plane is prone to undergo elastic–plastic deformation, while the γ-Fe(111) crystal plane has poorer plasticity.