Effect of alloy element on hydrogen-induced grain boundary embrittlement in BCC iron

Feiyang Wang; Xinyuan Zhang; Chaolei Zhang; Xiaoye Zhou; Hong-Hui Wu; Linshuo Dong; Yuan Zhu; Shuize Wang; Junheng Gao; Haitao Zhao; Yuhe Huang; Hongzhou Lu; Aimin Guo; Xinping Mao

Journal of Materials Research and Technology (Nov 2024)

Effect of alloy element on hydrogen-induced grain boundary embrittlement in BCC iron

Feiyang Wang,
Xinyuan Zhang,
Chaolei Zhang,
Xiaoye Zhou,
Hong-Hui Wu,
Linshuo Dong,
Yuan Zhu,
Shuize Wang,
Junheng Gao,
Haitao Zhao,
Yuhe Huang,
Hongzhou Lu,
Aimin Guo,
Xinping Mao

Affiliations

Feiyang Wang: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China
Xinyuan Zhang: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China
Chaolei Zhang: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China; Corresponding author. Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China.
Xiaoye Zhou: Department of Materials Science and Engineering, Shenzhen MSU-BIT University, Shenzhen, 518172, China
Hong-Hui Wu: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China; Institute of Materials Intelligent Technology, Liaoning Academy of Materials, Shenyang, 110004, China; Corresponding author. Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China.
Linshuo Dong: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China
Yuan Zhu: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China
Shuize Wang: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China; Corresponding author. Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China.
Junheng Gao: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China
Haitao Zhao: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China
Yuhe Huang: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China
Hongzhou Lu: CITIC Metals Co., Beijing, China; Corresponding author.
Aimin Guo: CITIC Metals Co., Beijing, China; Corresponding author.
Xinping Mao: Beijing Advanced Innovation Center for Materials Genome Engineering, Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China

Journal volume & issue: Vol. 33
pp. 9439 – 9447

Abstract

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The strength enhancement usually increases its susceptibility to hydrogen (H) embrittlement in steel materials. However, the atomic-level mechanisms of solutes influence hydrogen behavior at grain boundaries (GBs) remain incompletely understood. To address this gap, first-principles calculation was utilized to analyze the interactions between 25 different solutes and H at the Σ5 (310) GB of body-centered cubic (BCC) iron. This study focused on how these solutes affect H segregation and their role in mitigating H-induced GB embrittlement, thereby elucidating the mechanisms of solute-H interactions at GBs. The results show that elements such as Cr, Mn, Ni, Zr, Nb, Mo, W, and Re not only reduce H segregation at GBs, but also effectively alleviate H-induced GB embrittlement. Furthermore, first-principles calculation tensile tests (FPCTT) simulations were employed to investigate the effect of the H segregation behavior at GB on uniaxial tensile strain, shedding light on the fundamental processes of bond break and crack initiation at GBs. The present work provides deeper insights into the mechanisms of GB embrittlement and offers strategic guidance for designing steel materials with enhanced H embrittlement resistance.

Published in Journal of Materials Research and Technology

ISSN: 2238-7854 (Print); 2214-0697 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Technology: Mining engineering. Metallurgy
Website: https://www.journals.elsevier.com/journal-of-materials-research-and-technology/

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