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Atomistic Investigation of the Influence of Hydrogen on Mechanical Response during Nanoindentation in Pure Iron

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Acta Metallurgica Sinica (English Letters) Aims and scope

Abstract

The effects of hydrogen on the mechanical response of pure iron with randomly distributed hydrogen atoms under nanoindentation were systematically investigated by molecular dynamics simulations with the aim to further understand hydrogen embrittlement mechanism in the steels. The simulations results revealed that, for the three models with [001], [110] and [111] surface normal, hydrogen reduced the critical load of the pop-in event, promoted the dislocation slipping and reduced the plastic region size and dislocation density around the indenter compared to the hydrogen free model. Meanwhile, the different mechanical responses of the three models with different surface normal were further explained in the perspective of Schmid factor.

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Acknowledgements

The authors gratefully acknowledge the support from the National Natural Science Foundation of China (Nos. 52071238, &U20A20279), the National Key Research and Development Program of China (No. 2022YFB3706701), and the 111 Project (No. D18018). In this work, numerical calculation is supported by High-Performance Computing Center of Wuhan University of Science and Technology.

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Authors and Affiliations

  1. The State Key Laboratory of Refractories and Metallurgy, Hubei Province Key Laboratory of Systems Science on Metallurgical Processing, International Research Institute for Steel Technology, Collaborative Center on Advanced Steels, Wuhan University of Science and Technology, Wuhan, 430081, China

    Wenjing Lou, Lin Cheng, Runsheng Wang, Chengyang Hu & Kaiming Wu

  2. Metals Valley and Band (Foshan) Metallic Composite Materials Co., Ltd., Foshan, 528000, China

    Lin Cheng & Kaiming Wu

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  1. Wenjing Lou
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  2. Lin Cheng
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  3. Runsheng Wang
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  4. Chengyang Hu
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  5. Kaiming Wu
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Correspondence to Lin Cheng or Chengyang Hu.

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Lou, W., Cheng, L., Wang, R. et al. Atomistic Investigation of the Influence of Hydrogen on Mechanical Response during Nanoindentation in Pure Iron. Acta Metall. Sin. (Engl. Lett.) 36, 1179–1192 (2023). https://doi.org/10.1007/s40195-023-01555-2

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  • DOI: https://doi.org/10.1007/s40195-023-01555-2

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