On the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations

In this paper, the mechanical behavior of gradient nano-grained copper under uniaxial deformation was investigated using molecular dynamics simulations. The stress response was found to be different in the regions with different grain sizes, which was attributed to the different dislocation activiti...

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Autores principales:	Zhang Jiarui, Yang Fan, Liu Yaping, Zhong Zheng, Zhao Jinfeng
Formato:	article
Lenguaje:	EN
Publicado:	De Gruyter 2021
Materias:	gradient nano-grained metal grain rotation texture molecular dynamics Technology T Chemical technology TP1-1185 Physical and theoretical chemistry QD450-801
Acceso en línea:	https://doaj.org/article/39d49b8d13b446b6a0a824ef552113ed
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spelling	oai:doaj.org-article:39d49b8d13b446b6a0a824ef552113ed2021-12-05T14:10:57ZOn the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations2191-909710.1515/ntrev-2021-0010https://doaj.org/article/39d49b8d13b446b6a0a824ef552113ed2021-03-01T00:00:00Zhttps://doi.org/10.1515/ntrev-2021-0010https://doaj.org/toc/2191-9097In this paper, the mechanical behavior of gradient nano-grained copper under uniaxial deformation was investigated using molecular dynamics simulations. The stress response was found to be different in the regions with different grain sizes, which was attributed to the different dislocation activities due to the dislocation-grain boundary synergies. The phenomenon of grain rotation was observed and a program was developed to accurately evaluate the grain rotation and explore its dependence on the grain size and the initial crystal orientation. It is found that all grains tend to rotate to the 30° orientation, consistent with the activation theory of the slip systems under the uniaxial deformation. The rotation magnitude is larger for larger grains, but the rotation rate is more diversely distributed for smaller grains, indicating more disturbance from grain boundary mechanisms such as the grain boundary sliding and the grain boundary diffusion for smaller grains. The effect of temperature on the grain rotation is also investigated, showing an increase of the dispersion of grain rotation distribution with the increase of temperature. This paper aims at providing insights into the synergistic deformation mechanisms from dislocations and grain boundaries accounting for the exceptional ductility of the gradient nano-grained metals.Zhang JiaruiYang FanLiu YapingZhong ZhengZhao JinfengDe Gruyterarticlegradient nano-grained metalgrain rotationtexturemolecular dynamicsTechnologyTChemical technologyTP1-1185Physical and theoretical chemistryQD450-801ENNanotechnology Reviews, Vol 10, Iss 1, Pp 87-98 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	gradient nano-grained metal grain rotation texture molecular dynamics Technology T Chemical technology TP1-1185 Physical and theoretical chemistry QD450-801
spellingShingle	gradient nano-grained metal grain rotation texture molecular dynamics Technology T Chemical technology TP1-1185 Physical and theoretical chemistry QD450-801 Zhang Jiarui Yang Fan Liu Yaping Zhong Zheng Zhao Jinfeng On the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations
description	In this paper, the mechanical behavior of gradient nano-grained copper under uniaxial deformation was investigated using molecular dynamics simulations. The stress response was found to be different in the regions with different grain sizes, which was attributed to the different dislocation activities due to the dislocation-grain boundary synergies. The phenomenon of grain rotation was observed and a program was developed to accurately evaluate the grain rotation and explore its dependence on the grain size and the initial crystal orientation. It is found that all grains tend to rotate to the 30° orientation, consistent with the activation theory of the slip systems under the uniaxial deformation. The rotation magnitude is larger for larger grains, but the rotation rate is more diversely distributed for smaller grains, indicating more disturbance from grain boundary mechanisms such as the grain boundary sliding and the grain boundary diffusion for smaller grains. The effect of temperature on the grain rotation is also investigated, showing an increase of the dispersion of grain rotation distribution with the increase of temperature. This paper aims at providing insights into the synergistic deformation mechanisms from dislocations and grain boundaries accounting for the exceptional ductility of the gradient nano-grained metals.
format	article
author	Zhang Jiarui Yang Fan Liu Yaping Zhong Zheng Zhao Jinfeng
author_facet	Zhang Jiarui Yang Fan Liu Yaping Zhong Zheng Zhao Jinfeng
author_sort	Zhang Jiarui
title	On the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations
title_short	On the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations
title_full	On the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations
title_fullStr	On the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations
title_full_unstemmed	On the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations
title_sort	on the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations
publisher	De Gruyter
publishDate	2021
url	https://doaj.org/article/39d49b8d13b446b6a0a824ef552113ed
work_keys_str_mv	AT zhangjiarui onthedeformationinducedgrainrotationsingradientnanograinedcopperbasedonmoleculardynamicssimulations AT yangfan onthedeformationinducedgrainrotationsingradientnanograinedcopperbasedonmoleculardynamicssimulations AT liuyaping onthedeformationinducedgrainrotationsingradientnanograinedcopperbasedonmoleculardynamicssimulations AT zhongzheng onthedeformationinducedgrainrotationsingradientnanograinedcopperbasedonmoleculardynamicssimulations AT zhaojinfeng onthedeformationinducedgrainrotationsingradientnanograinedcopperbasedonmoleculardynamicssimulations
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On the deformation-induced grain rotations in gradient nano-grained copper based on molecular dynamics simulations

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