Revealing grain boundary kinetics in three-dimensional space

Yingbin Chen; Jian Han; Hailin Deng; Guang Cao; Ze Zhang; Qi Zhu; Haofei Zhou; David J. Srolovitz; Jiangwei Wang

doi:10.1016/j.actamat.2024.119717

Revealing grain boundary kinetics in three-dimensional space

Yingbin Chen, Jian Han, Hailin Deng, Guang Cao, Ze Zhang, Qi Zhu^*, Haofei Zhou^*, David J. Srolovitz^*, Jiangwei Wang^*

^*Corresponding author for this work

Department of Materials Science and Engineering

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

16 Citations (Scopus)

Abstract

Grain boundaries (GBs) in polycrystalline and nanocrystalline materials are rarely flat, and their curvatures often evolve dynamically in three-dimensional (3D) GB network under thermomechanical stimulations. However, the complexity of polycrystalline microstructure greatly hinders our understanding of GB kinetics with 3D crystallographic clarity, especially at atomic scale. Here, we reveal a disconnection-based mechanism of GB kinetics in 3D space, by combining atomic-resolution in situ nanomechanical testing and atomistic simulations. Upon loading, GB can gradually adjust its curvature in 3D via sequential nucleation, propagation and annihilation of curved disconnections, where anisotropic mobilities of different disconnection segments induce a dynamic GB curving in 3D. Such curved disconnection-mediated GB curving and migration can coordinate among multiple GBs, and contribute to 3D grain growth/annihilation in GB networks. This curved disconnection-based 3D GB kinetics elucidates a long-elusive perspective in GB deformation, significantly advancing current knowledge of GB-mediated plasticity in metallic materials. © 2024 Acta Materialia Inc.

Original language	English
Article number	119717
Journal	Acta Materialia
Volume	268
Online published	4 Feb 2024
DOIs	https://doi.org/10.1016/j.actamat.2024.119717
Publication status	Published - 15 Apr 2024

Funding

J.W. acknowledges the financial support from the National Natural Science Foundation of China ( 52071284 ). H.Z. acknowledges the financial support from the National Natural Science Foundation of China ( 12172324, 12222210 ) and the computational support from the Beijing Super Cloud Computing Center. D.J.S. acknowledges the financial support of the Research Grants Council of Hong Kong ( 17210723 ). J.H. acknowledges support of the Early Career Scheme (ECS) grant from the Hong 259 Kong Research Grants Council City U21213921.

Research Keywords

Nanocrystalline material
Grain boundary
Curved disconnection
Grain boundary tilting
Grain annihilation
In situ transmission electron microscopy (TEM)

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RGC-funded

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10.1016/j.actamat.2024.119717

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title = "Revealing grain boundary kinetics in three-dimensional space",

abstract = "Grain boundaries (GBs) in polycrystalline and nanocrystalline materials are rarely flat, and their curvatures often evolve dynamically in three-dimensional (3D) GB network under thermomechanical stimulations. However, the complexity of polycrystalline microstructure greatly hinders our understanding of GB kinetics with 3D crystallographic clarity, especially at atomic scale. Here, we reveal a disconnection-based mechanism of GB kinetics in 3D space, by combining atomic-resolution in situ nanomechanical testing and atomistic simulations. Upon loading, GB can gradually adjust its curvature in 3D via sequential nucleation, propagation and annihilation of curved disconnections, where anisotropic mobilities of different disconnection segments induce a dynamic GB curving in 3D. Such curved disconnection-mediated GB curving and migration can coordinate among multiple GBs, and contribute to 3D grain growth/annihilation in GB networks. This curved disconnection-based 3D GB kinetics elucidates a long-elusive perspective in GB deformation, significantly advancing current knowledge of GB-mediated plasticity in metallic materials. {\textcopyright} 2024 Acta Materialia Inc.",

keywords = "Nanocrystalline material, Grain boundary, Curved disconnection, Grain boundary tilting, Grain annihilation, In situ transmission electron microscopy (TEM)",

author = "Yingbin Chen and Jian Han and Hailin Deng and Guang Cao and Ze Zhang and Qi Zhu and Haofei Zhou and Srolovitz, {David J.} and Jiangwei Wang",

year = "2024",

month = apr,

day = "15",

doi = "10.1016/j.actamat.2024.119717",

language = "English",

volume = "268",

journal = "Acta Materialia",

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T1 - Revealing grain boundary kinetics in three-dimensional space

AU - Chen, Yingbin

AU - Han, Jian

AU - Deng, Hailin

AU - Cao, Guang

AU - Zhang, Ze

AU - Zhu, Qi

AU - Zhou, Haofei

AU - Srolovitz, David J.

AU - Wang, Jiangwei

PY - 2024/4/15

Y1 - 2024/4/15

N2 - Grain boundaries (GBs) in polycrystalline and nanocrystalline materials are rarely flat, and their curvatures often evolve dynamically in three-dimensional (3D) GB network under thermomechanical stimulations. However, the complexity of polycrystalline microstructure greatly hinders our understanding of GB kinetics with 3D crystallographic clarity, especially at atomic scale. Here, we reveal a disconnection-based mechanism of GB kinetics in 3D space, by combining atomic-resolution in situ nanomechanical testing and atomistic simulations. Upon loading, GB can gradually adjust its curvature in 3D via sequential nucleation, propagation and annihilation of curved disconnections, where anisotropic mobilities of different disconnection segments induce a dynamic GB curving in 3D. Such curved disconnection-mediated GB curving and migration can coordinate among multiple GBs, and contribute to 3D grain growth/annihilation in GB networks. This curved disconnection-based 3D GB kinetics elucidates a long-elusive perspective in GB deformation, significantly advancing current knowledge of GB-mediated plasticity in metallic materials. © 2024 Acta Materialia Inc.

AB - Grain boundaries (GBs) in polycrystalline and nanocrystalline materials are rarely flat, and their curvatures often evolve dynamically in three-dimensional (3D) GB network under thermomechanical stimulations. However, the complexity of polycrystalline microstructure greatly hinders our understanding of GB kinetics with 3D crystallographic clarity, especially at atomic scale. Here, we reveal a disconnection-based mechanism of GB kinetics in 3D space, by combining atomic-resolution in situ nanomechanical testing and atomistic simulations. Upon loading, GB can gradually adjust its curvature in 3D via sequential nucleation, propagation and annihilation of curved disconnections, where anisotropic mobilities of different disconnection segments induce a dynamic GB curving in 3D. Such curved disconnection-mediated GB curving and migration can coordinate among multiple GBs, and contribute to 3D grain growth/annihilation in GB networks. This curved disconnection-based 3D GB kinetics elucidates a long-elusive perspective in GB deformation, significantly advancing current knowledge of GB-mediated plasticity in metallic materials. © 2024 Acta Materialia Inc.

KW - Nanocrystalline material

KW - Grain boundary

KW - Curved disconnection

KW - Grain boundary tilting

KW - Grain annihilation

KW - In situ transmission electron microscopy (TEM)

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U2 - 10.1016/j.actamat.2024.119717

DO - 10.1016/j.actamat.2024.119717

M3 - RGC 21 - Publication in refereed journal

SN - 1359-6454

VL - 268

JO - Acta Materialia

JF - Acta Materialia

M1 - 119717

ER -

Revealing grain boundary kinetics in three-dimensional space

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ECS: A Mechanism-based Approach to the Simulations of Grain-boundary Thermodynamics and Kinetics

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Revealing grain boundary kinetics in three-dimensional space

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Funding

Research Keywords

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ECS: A Mechanism-based Approach to the Simulations of Grain-boundary Thermodynamics and Kinetics

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