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On the small angle twist sub-grain boundaries in Ti(3)AlC(2)

Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typica...

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Autores principales: Zhang, Hui, Zhang, Chao, Hu, Tao, Zhan, Xun, Wang, Xiaohui, Zhou, Yanchun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4817052/
https://www.ncbi.nlm.nih.gov/pubmed/27034075
http://dx.doi.org/10.1038/srep23943
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author Zhang, Hui
Zhang, Chao
Hu, Tao
Zhan, Xun
Wang, Xiaohui
Zhou, Yanchun
author_facet Zhang, Hui
Zhang, Chao
Hu, Tao
Zhan, Xun
Wang, Xiaohui
Zhou, Yanchun
author_sort Zhang, Hui
collection PubMed
description Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti(3)AlC(2) compressed at 1200 °C, which comprise hexagonal screw dislocation networks formed by basal dislocation reactions. By first-principles investigations on atomic-scale deformation and general stacking fault energy landscapes, it is unequivocally demonstrated that the twist sub-grain boundaries are most likely located between Al and Ti4f (Ti located at the 4f Wyckoff sites of P6(3)/mmc) layers, with breaking of the weakly bonded Al–Ti4f. The twist angle increases with the increase of deformation and is estimated to be around 0.5° for a deformation of 26%. This work may shed light on sub-grain boundaries of MAX phases, and provide fundamental information for future atomic-scale simulations.
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spelling pubmed-48170522016-04-05 On the small angle twist sub-grain boundaries in Ti(3)AlC(2) Zhang, Hui Zhang, Chao Hu, Tao Zhan, Xun Wang, Xiaohui Zhou, Yanchun Sci Rep Article Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti(3)AlC(2) compressed at 1200 °C, which comprise hexagonal screw dislocation networks formed by basal dislocation reactions. By first-principles investigations on atomic-scale deformation and general stacking fault energy landscapes, it is unequivocally demonstrated that the twist sub-grain boundaries are most likely located between Al and Ti4f (Ti located at the 4f Wyckoff sites of P6(3)/mmc) layers, with breaking of the weakly bonded Al–Ti4f. The twist angle increases with the increase of deformation and is estimated to be around 0.5° for a deformation of 26%. This work may shed light on sub-grain boundaries of MAX phases, and provide fundamental information for future atomic-scale simulations. Nature Publishing Group 2016-04-01 /pmc/articles/PMC4817052/ /pubmed/27034075 http://dx.doi.org/10.1038/srep23943 Text en Copyright © 2016, Macmillan Publishers Limited http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Zhang, Hui
Zhang, Chao
Hu, Tao
Zhan, Xun
Wang, Xiaohui
Zhou, Yanchun
On the small angle twist sub-grain boundaries in Ti(3)AlC(2)
title On the small angle twist sub-grain boundaries in Ti(3)AlC(2)
title_full On the small angle twist sub-grain boundaries in Ti(3)AlC(2)
title_fullStr On the small angle twist sub-grain boundaries in Ti(3)AlC(2)
title_full_unstemmed On the small angle twist sub-grain boundaries in Ti(3)AlC(2)
title_short On the small angle twist sub-grain boundaries in Ti(3)AlC(2)
title_sort on the small angle twist sub-grain boundaries in ti(3)alc(2)
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4817052/
https://www.ncbi.nlm.nih.gov/pubmed/27034075
http://dx.doi.org/10.1038/srep23943
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