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Atomistic study of the competitive relationship between edge dislocation motion and hydrogen diffusion in alpha iron

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Abstract

The interaction between a dislocation and hydrogen is considered to play an important role in hydrogen-related fractures for metals; it has been experimentally reported that hydrogen affects the dislocation mobility. These studies, however, show different macroscopic softening and/or hardening effects in iron, and the interaction between the dislocation and hydrogen remains unclear. In this study, we investigated the occurrence of interactions between a {112}<111> edge dislocation and a hydrogen atom via the estimation of the stress-dependent energy barriers for the dislocation motion and hydrogen diffusion in alpha iron using atomistic calculations. Our results show the existence of boundary stress conditions: dislocation mobility increment (softening) occurs at a lower applied stress, dislocation mobility decrement (hardening) occurs at an intermediate stress, and no effects occur for the steady motion of a dislocation at a higher stress in this analysis condition.

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ACKNOWLEDGMENT

This research was partially supported by the Fundamental Research Project on Advanced Hydrogen Science funded by the New Energy Development Organization (NEDO).

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Authors and Affiliations

  1. Department of Mechanical Engineering, Graduate School of Science and Engineering, Saga University, Saga, 840-8502, Japan

    Shinya Taketomi

  2. Department of Mechanical Engineering and Science, Graduate School of Engineering, Kyoto University, Kyoto, 606-8501, Japan

    Ryosuke Matsumoto & Noriyuki Miyazaki

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  1. Shinya Taketomi
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  2. Ryosuke Matsumoto
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  3. Noriyuki Miyazaki
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Correspondence to Shinya Taketomi.

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Taketomi, S., Matsumoto, R. & Miyazaki, N. Atomistic study of the competitive relationship between edge dislocation motion and hydrogen diffusion in alpha iron. Journal of Materials Research 26, 1269–1278 (2011). https://doi.org/10.1557/jmr.2011.106

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  • DOI: https://doi.org/10.1557/jmr.2011.106

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