Σ3 grain boundary dynamics studied by atomistic spherical bicrystal modeling

R. Li; E. R. Homer; Y. Zhang; D. Juul Jensen

doi:10.1088/1742-6596/2635/1/012025

Σ3 grain boundary dynamics studied by atomistic spherical bicrystal modeling

R. Li^*, E. R. Homer, Y. Zhang, D. Juul Jensen

^*Corresponding author for this work

Brigham Young University

Research output: Contribution to journal › Conference article › Research › peer-review

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Abstract

In this study, we propose an atomistic spherical bicrystal model that employs the synthetic driving force method to investigate the dynamics of curved interfaces. The model allows tracking the migration and faceting of spherical grain boundaries. As a demonstration case, a simulation for a grain boundary with Σ3 misorientation is performed. A subsequent analysis of interface energy and stiffness is performed, whereby it is found that the dynamics of [111] and [112] in the Σ3 boundary plane fundamental zone follow energy and stiffness trends, while others, e.g., the [011] segment, do not.

Original language	English
Article number	012025
Book series	Journal of Physics: Conference Series
Volume	2635
Issue number	1
Number of pages	8
ISSN	1742-6588
DOIs	https://doi.org/10.1088/1742-6596/2635/1/012025
Publication status	Published - 2023
Event	8th International Conference on Recrystallization and Grain Growth - Chongqing, China Duration: 15 May 2023 → 19 May 2023

Conference

Conference	8th International Conference on Recrystallization and Grain Growth
Country/Territory	China
City	Chongqing
Period	15/05/2023 → 19/05/2023

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title = "Σ3 grain boundary dynamics studied by atomistic spherical bicrystal modeling",

abstract = "In this study, we propose an atomistic spherical bicrystal model that employs the synthetic driving force method to investigate the dynamics of curved interfaces. The model allows tracking the migration and faceting of spherical grain boundaries. As a demonstration case, a simulation for a grain boundary with Σ3 misorientation is performed. A subsequent analysis of interface energy and stiffness is performed, whereby it is found that the dynamics of [111] and [112] in the Σ3 boundary plane fundamental zone follow energy and stiffness trends, while others, e.g., the [011] segment, do not.",

author = "R. Li and Homer, {E. R.} and Y. Zhang and Jensen, {D. Juul}",

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AU - Li, R.

AU - Homer, E. R.

AU - Zhang, Y.

AU - Jensen, D. Juul

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N2 - In this study, we propose an atomistic spherical bicrystal model that employs the synthetic driving force method to investigate the dynamics of curved interfaces. The model allows tracking the migration and faceting of spherical grain boundaries. As a demonstration case, a simulation for a grain boundary with Σ3 misorientation is performed. A subsequent analysis of interface energy and stiffness is performed, whereby it is found that the dynamics of [111] and [112] in the Σ3 boundary plane fundamental zone follow energy and stiffness trends, while others, e.g., the [011] segment, do not.

AB - In this study, we propose an atomistic spherical bicrystal model that employs the synthetic driving force method to investigate the dynamics of curved interfaces. The model allows tracking the migration and faceting of spherical grain boundaries. As a demonstration case, a simulation for a grain boundary with Σ3 misorientation is performed. A subsequent analysis of interface energy and stiffness is performed, whereby it is found that the dynamics of [111] and [112] in the Σ3 boundary plane fundamental zone follow energy and stiffness trends, while others, e.g., the [011] segment, do not.

U2 - 10.1088/1742-6596/2635/1/012025

DO - 10.1088/1742-6596/2635/1/012025

M3 - Conference article

SN - 1742-6588

VL - 2635

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

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T2 - 8th International Conference on Recrystallization and Grain Growth

Y2 - 15 May 2023 through 19 May 2023

ER -

Σ3 grain boundary dynamics studied by atomistic spherical bicrystal modeling

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