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<p>Sanicro 25 is anticipated to become the next-generation austenitic heat-resistant steel for ultra-supercritical thermal power units, owing to its exceptional structural stability and high-temperature mechanical properties. In an effort to decrease the content of the costly metal Ni, this study investigates the effects of Mn substitution on the properties of the Fe–Cr–Ni system through first-principles methods. The results of the calculations for formation energy, binding energy, and Gibbs free energy indicate that the system maintains good structural stability with Mn substitution. Through the analysis of electronic properties, it is found that the system exhibits the best thermal stability at a Mn content of 6.25&#xa0;wt.%. It is characterized by the highest charge density distribution surrounding the Mn atoms and the lowest electronic density within the system. Elastic modulus analysis shows that the compressive strength is improved, and the shear modulus and Young's modulus reach their maximum at 6.25&#xa0;wt.% counterpart, indicating that the stiffness is highest. The system with different Mn contents exhibits an initial increase followed by a decrease in tensile stress with increasing strain. When the strain is 30%, the tensile stress of each system is the largest. Notably, the system with 6.25&#xa0;wt.% Mn exhibits the highest stress at this strain level. These results demonstrate that Mn substitution is a viable and effective strategy for reducing Ni content in Sanicro 25 austenitic heat-resistant steel applications.</p> Graphical abstract <p></p>

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An insight into Mn substitution for Ni about the structure stability and mechanical properties in Sanicro 25 austenitic heat-resistant steel by first principles

  • 期刊论文

  • 发表日期：

    2025年8月4日

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  • Shengli Gong,
  • Xin Guo,
  • Jiangtao Yin,
  • Junqiang Ren,
  • Hongtao Xue,
  • Junchen Li,
  • Xuefeng Lu

摘要

Sanicro 25 is anticipated to become the next-generation austenitic heat-resistant steel for ultra-supercritical thermal power units, owing to its exceptional structural stability and high-temperature mechanical properties. In an effort to decrease the content of the costly metal Ni, this study investigates the effects of Mn substitution on the properties of the Fe–Cr–Ni system through first-principles methods. The results of the calculations for formation energy, binding energy, and Gibbs free energy indicate that the system maintains good structural stability with Mn substitution. Through the analysis of electronic properties, it is found that the system exhibits the best thermal stability at a Mn content of 6.25 wt.%. It is characterized by the highest charge density distribution surrounding the Mn atoms and the lowest electronic density within the system. Elastic modulus analysis shows that the compressive strength is improved, and the shear modulus and Young's modulus reach their maximum at 6.25 wt.% counterpart, indicating that the stiffness is highest. The system with different Mn contents exhibits an initial increase followed by a decrease in tensile stress with increasing strain. When the strain is 30%, the tensile stress of each system is the largest. Notably, the system with 6.25 wt.% Mn exhibits the highest stress at this strain level. These results demonstrate that Mn substitution is a viable and effective strategy for reducing Ni content in Sanicro 25 austenitic heat-resistant steel applications.

Graphical abstract