DOI number:10.1016/j.intermet.2025.108902

Journal:Intermetallics

Key Words:Super-nano dual-phase Molecular dynamics Amorphous-nanocrystalline iron Mechanical properties Plastic deformation

Abstract:To reveal the mechanical properties and plastic deformation mechanisms of super-nano dual-phase iron at the atomic scale, molecular dynamics models of amorphous iron (amorphous-Fe), nanocrystalline iron (NC-Fe), super-nano dual-phase amorphous-nanocrystalline iron (SNDP-A/NC-Fe), and super-nano dual-phase nanocrystalline-amorphous iron (SNDP-NC/A-Fe) were established. The results indicate super-nano dual-phase nanostructures have exhibit good strength-plasticity balance. The plasticity of SNDP-A/NC-Fe model exceeds that of amorphous-Fe with higher strength. The strength of SNDP-NC/A-Fe model is higher than that of the NC Fe model with excellent plasticity. The relatively uniform stress distribution leads to the good plasticity of SNDP-A/NC-Fe models owing to the suppression of nanocrystalline on shear band propagation. Additionally, the bodycentered cubic (BCC) → face-centered tetragonal (FCT) phase transition lead to the reduction of strength, while the twinning behavior leads to a reduction in plasticity owing to the propagation of mature shear bands. This study has revealed the mechanical properties and plastic deformation mechanisms of body-centered cubic super-nano dual-phase structural materials at the atomic scale, providing a theoretical foundation for the design and application of low-activation steels with high strength and toughness.

Co-author:Long Luo,Liang Shen,Hao Liu,Jun Ding

First Author:Lusheng Wang

Indexed by:Journal paper

Correspondence Author:Yu Tian*,Siliang Yan*

Document Code:108902

Discipline:Engineering

Document Type:J

Volume:185

Issue:-

Translation or Not:no

Date of Publication:2025-06-29

Included Journals:SCI、EI

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