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Molecular Dynamics Simulation Study on the Effect of Mn on the Tensile Behavior of a Ferrite/Austenite Iron Bicrystal

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Abstract

The effect of Mn on duplex stainless steel is of great importance in the development of lean duplex stainless steel. In this paper, we applied molecular dynamics simulations to quantitatively investigate the effect of Mn addition on the tensile behavior of ferritic/austenitic (bcc–fcc) iron duplexes as a model system for duplex stainless steels. We found that dislocations originate at grain boundaries and most of the initial dislocations in the grain boundaries are Shockley partial dislocations. The temperature and the number of dislocations conform to a normal distribution relationship. In addition, the tensile deformation mechanism of duplex stainless steel is dominated by both phase transformation and dislocation activity. Mn can improve the tensile properties of the material by delaying the arrival of plastic deformation, increasing the dislocation density to improve the strength of the model, and promoting the phase transformation mechanism of fcc → hcp → bcc.

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Acknowledgments

This work was supported by the Guizhou Provincial General Undergraduate Higher Education Technology Supporting Talent Support Program (KY (2018)043), the National Natural Science Foundation of China (10502025, 10872087, 11272143), the Program for Chinese New Century Excellent Talents in university (NCET-12-0712), and the Key University Science Research Project of Jiangsu Province (17KJA130002).

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Authors and Affiliations

  1. Department of Mechanical and Power Engineering, Nanjing Tech University, Nanjing, 210009, Jiangsu, China

    Weitao Liu, Luling Wang, Binyin Zhu, Jianxin Jiang & Jianqiu Zhou

  2. School of Mechatronics Engineering, Guizhou Minzu University, Guiyang, 550025, Guizhou, China

    Jianqiu Zhou

  3. School of Law and Administration, Nanjing University of Technology, Nanjing, 210009, Jiangsu, China

    Tong Han

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  1. Weitao Liu
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  3. Luling Wang
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Contributions

JZ contributed to funding acquisition, resources, conceptualization, methodology. WL contributed to conceptualization, methodology, resources, software, supervision, validation, writing–original draft, writing–review and editing. LW contributed to investigation and writing-original draft. BZ contributed to investigation and writing-original draft. JJ contributed to investigation, formal analysis, writing-review and editing. TH contributed to investigation, formal analysis, writing–original draft.

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Correspondence to Jianqiu Zhou.

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Liu, W., Han, T., Wang, L. et al. Molecular Dynamics Simulation Study on the Effect of Mn on the Tensile Behavior of a Ferrite/Austenite Iron Bicrystal. J. of Materi Eng and Perform 32, 6810–6820 (2023). https://doi.org/10.1007/s11665-022-07582-x

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