Unveiling the role of hydrogen on the creep behaviors of nanograined α-Fe via molecular dynamics simulations |
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Authors: | Xiao-Ye Zhou Ji-Hua Zhu Hong-Hui Wu Xu-Sheng Yang Shuize Wang Xinping Mao |
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Affiliation: | 1. Guangdong Province Key Laboratory of Durability for Marine Civil Engineering, College of Civil and Transportation Engineering, Shenzhen University, Shenzhen, Guangdong, 518060, PR China;2. Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing, 100083, PR China;3. Advanced Manufacturing Technology Research Centre, Department of Industrial and Systems Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong;4. Hong Kong Polytechnic University Shenzhen Research Institute, Shenzhen, PR China |
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Abstract: | Hydrogen embrittlement (HE) substantially deteriorates the mechanical properties of metals. The HE behavior of nanograined (NG) materials with a high fraction of grain boundaries (GBs) may significantly differ from those of their coarse-grained counterparts. Herein, molecular dynamics (MD) simulations were performed to investigate the HE behavior and mechanism of NG α-Fe under creep loading. The effects of temperature, sustained stress, and grain size on the creep mechanism was examined based on the Mukherjee-Bird-Dorn (MBD) equation. The deformation mechanisms were found to be highly dependent on temperature, applied stress, and grain size. Hydrogen charging was found to have an inhibitory effect on the GB-related deformation mechanism. As the grain size increased, the HE mechanism transitioned from H-induced inhibition of GB-related deformation to H-enhanced GB decohesion. The current results might provide theoretical guidance for designing NG structural materials with low HE sensitivity and better mechanical performance. |
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Keywords: | Plastic deformation mechanism Molecular dynamics simulations Hydrogen embrittlement Nanograined materials Creep behavior |
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