Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals
| Autor: | Arnaud Metsue, Xavier Feaugas, Abdelmalek Hallil, J. Li, J. Bouhattate, Abdelali Oudriss |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Materials science
Hydrogen Science chemistry.chemical_element 02 engineering and technology Trapping 01 natural sciences Article 0103 physical sciences Diffusion (business) 010306 general physics Multidisciplinary Metals and alloys 021001 nanoscience & nanotechnology Structural materials Intergranular fracture Nickel chemistry Chemical physics Medicine Grain boundary 0210 nano-technology Short circuit Hydrogen embrittlement |
| Zdroj: | Scientific Reports, Vol 11, Iss 1, Pp 1-19 (2021) Scientific Reports |
| ISSN: | 2045-2322 |
| Popis: | Hydrogen-grain-boundaries interactions and their role in intergranular fracture are well accepted as one of the key features in understanding hydrogen embrittlement in a large variety of common engineer situations. These interactions implicate some fundamental processes classified as segregation, trapping and diffusion of the solute which can be studied as a function of grain boundary configuration. In the present study, we carried out an extensive analysis of four grain-boundaries based on the complementary of atomistic calculations and experimental data. We demonstrate that elastic deformation has an important contribution on the segregation energy which cannot be simply reduced to a volume change and need to consider the deviatoric part of strain. Additionally, some significant configurations of the segregation energy depend on the long-range elastic distortion and allows to rationalize the elastic contribution in three terms. By investigating the different energy barriers involved to reach all the segregation sites, the antagonist impact of grain boundaries on hydrogen diffusion and trapping process was elucidated. The segregation energy and migration energy are two fundamental parameters in order to classify the grain-boundaries as a trapping location or short circuit for diffusion. |
| Databáze: | OpenAIRE |
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