An experimentally-based molecular dynamics analysis of grain boundary migration during recrystallization in aluminum

Runguang Li; Eric R. Homer; Chuanshi Hong; Yubin Zhang; Dorte Juul Jensen

doi:10.1016/j.scriptamat.2021.114489

An experimentally-based molecular dynamics analysis of grain boundary migration during recrystallization in aluminum

Runguang Li, Eric R. Homer, Chuanshi Hong, Yubin Zhang, Dorte Juul Jensen

Brigham Young University

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Abstract

Recent synchrotron X-ray measurements examined three-dimensional boundary migration during recrystallization [Scripta Mater 205 (2021) 114187]. To analyze possible correlations between grain boundary mobility and the observed heterogeneous boundary migration, molecular dynamics simulations were carried out. Migration of two selected boundary segments were simulated in both planar and spherical bicrystal atomistic models. These two segments were chosen because in the experiment one was observed to migrate much faster than the other. The simulations reveal that mobility cannot account for the experimentally observed heterogeneous migration. The result points to the possibility that recrystallization boundary migration strongly depends on features within the deformed microstructure.

Original language	English
Article number	114489
Journal	Scripta Materialia
Volume	211
Number of pages	5
ISSN	1359-6462
DOIs	https://doi.org/10.1016/j.scriptamat.2021.114489
Publication status	Published - 2022

Keywords

Recrystallization
Grain boundary mobility
Molecular dynamics

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title = "An experimentally-based molecular dynamics analysis of grain boundary migration during recrystallization in aluminum",

abstract = "Recent synchrotron X-ray measurements examined three-dimensional boundary migration during recrystallization [Scripta Mater 205 (2021) 114187]. To analyze possible correlations between grain boundary mobility and the observed heterogeneous boundary migration, molecular dynamics simulations were carried out. Migration of two selected boundary segments were simulated in both planar and spherical bicrystal atomistic models. These two segments were chosen because in the experiment one was observed to migrate much faster than the other. The simulations reveal that mobility cannot account for the experimentally observed heterogeneous migration. The result points to the possibility that recrystallization boundary migration strongly depends on features within the deformed microstructure.",

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T1 - An experimentally-based molecular dynamics analysis of grain boundary migration during recrystallization in aluminum

AU - Li, Runguang

AU - Homer, Eric R.

AU - Hong, Chuanshi

AU - Zhang, Yubin

AU - Jensen, Dorte Juul

PY - 2022

Y1 - 2022

N2 - Recent synchrotron X-ray measurements examined three-dimensional boundary migration during recrystallization [Scripta Mater 205 (2021) 114187]. To analyze possible correlations between grain boundary mobility and the observed heterogeneous boundary migration, molecular dynamics simulations were carried out. Migration of two selected boundary segments were simulated in both planar and spherical bicrystal atomistic models. These two segments were chosen because in the experiment one was observed to migrate much faster than the other. The simulations reveal that mobility cannot account for the experimentally observed heterogeneous migration. The result points to the possibility that recrystallization boundary migration strongly depends on features within the deformed microstructure.

AB - Recent synchrotron X-ray measurements examined three-dimensional boundary migration during recrystallization [Scripta Mater 205 (2021) 114187]. To analyze possible correlations between grain boundary mobility and the observed heterogeneous boundary migration, molecular dynamics simulations were carried out. Migration of two selected boundary segments were simulated in both planar and spherical bicrystal atomistic models. These two segments were chosen because in the experiment one was observed to migrate much faster than the other. The simulations reveal that mobility cannot account for the experimentally observed heterogeneous migration. The result points to the possibility that recrystallization boundary migration strongly depends on features within the deformed microstructure.

KW - Recrystallization

KW - Grain boundary mobility

KW - Molecular dynamics

U2 - 10.1016/j.scriptamat.2021.114489

DO - 10.1016/j.scriptamat.2021.114489

M3 - Journal article

SN - 1359-6462

VL - 211

JO - Scripta Materialia

JF - Scripta Materialia

M1 - 114489

ER -

An experimentally-based molecular dynamics analysis of grain boundary migration during recrystallization in aluminum

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