Atomistic study of hydrogen distribution and diffusion around a {112} edge dislocation in alpha iron

By S. Taketomi, R. Matsumoto, N. Miyazaki. 2008

142 citations recorded by the source corpus.

Abstract Despite extensive investigations, the distribution of hydrogen around a stress singularity field is still not well understood. In this study, we conducted molecular statics (MS) analyses of the hydrogen-trap energy around a {1 1 2} edge dislocation in alpha iron. The distribution of hydrogen in crystals is generally assumed to be dominated by hydrostatic stress. However, the MS results indicate that the hydrogen-trap energy is sensitive to shear stress as well as hydrostatic stress, thus indicating that strong trap sites are distributed across a wide range on the slip plane around the dislocation core. We also performed molecular dynamics simulation of hydrogen diffusion, and revealed the anisotropic diffusion behaviour of hydrogen around the dislocation core.

Subfields: Materials Chemistry, Metals and Alloys

View Paper: https://www.semanticscholar.org/paper/d23e76935fc1e37e16176b828eaf2efa1a307578

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In Materials Chemistry

1. Dierk Raabe
2. Motomichi Koyama
3. K. Tsuzaki
4. E. Akiyama
5. O. A. Zambrano
6. H. Springer
7. A. Barnoush
8. H. Vehoff

In Metals and Alloys

1. Dierk Raabe
2. Motomichi Koyama
3. E. Akiyama
4. K. Tsuzaki
5. H. Springer
6. A. Barnoush
7. H. Vehoff
8. O. A. Zambrano

Citations in the corpus

• Recent developments in the study of hydrogen embrittlement: Hydrogen effect on dislocation nucleation (2010, methodology): “Trapping of H on dislocations experimentally [51-53] as well as through numerical simulation has been proved [42, 54-58].”
• Hydrogen embrittlement associated with strain localization in a precipitation-hardened Fe–Mn–Al–C light weight austenitic steel (2014, background): “ically, the hydrogen desorption associated with the first peak is mainly attributed to capturing of hydrogen within the elastic field of an edge dislocation [42].”