Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals

Abstract 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 segreg...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	J. Li, A. Hallil, A. Metsue, A. Oudriss, J. Bouhattate, X. Feaugas
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/efd5bd52dc1a45a1bc538582647aeab8
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:efd5bd52dc1a45a1bc538582647aeab8
record_format	dspace
spelling	oai:doaj.org-article:efd5bd52dc1a45a1bc538582647aeab82021-12-02T16:06:44ZAntagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals10.1038/s41598-021-94107-62045-2322https://doaj.org/article/efd5bd52dc1a45a1bc538582647aeab82021-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-94107-6https://doaj.org/toc/2045-2322Abstract 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.J. LiA. HallilA. MetsueA. OudrissJ. BouhattateX. FeaugasNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-19 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q J. Li A. Hallil A. Metsue A. Oudriss J. Bouhattate X. Feaugas Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals
description	Abstract 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.
format	article
author	J. Li A. Hallil A. Metsue A. Oudriss J. Bouhattate X. Feaugas
author_facet	J. Li A. Hallil A. Metsue A. Oudriss J. Bouhattate X. Feaugas
author_sort	J. Li
title	Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals
title_short	Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals
title_full	Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals
title_fullStr	Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals
title_full_unstemmed	Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals
title_sort	antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/efd5bd52dc1a45a1bc538582647aeab8
work_keys_str_mv	AT jli antagonisteffectsofgrainboundariesbetweenthetrappingprocessandthefastdiffusionpathinnickelbicrystals AT ahallil antagonisteffectsofgrainboundariesbetweenthetrappingprocessandthefastdiffusionpathinnickelbicrystals AT ametsue antagonisteffectsofgrainboundariesbetweenthetrappingprocessandthefastdiffusionpathinnickelbicrystals AT aoudriss antagonisteffectsofgrainboundariesbetweenthetrappingprocessandthefastdiffusionpathinnickelbicrystals AT jbouhattate antagonisteffectsofgrainboundariesbetweenthetrappingprocessandthefastdiffusionpathinnickelbicrystals AT xfeaugas antagonisteffectsofgrainboundariesbetweenthetrappingprocessandthefastdiffusionpathinnickelbicrystals
_version_	1718384877909311488

Antagonist effects of grain boundaries between the trapping process and the fast diffusion path in nickel bicrystals

Ejemplares similares