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三维非晶态固体中的刺猬状拓扑缺陷。

Hedgehog topological defects in 3D amorphous solids.

作者信息

Bera Arabinda, Zaccone Alessio, Baggioli Matteo

机构信息

Department of Physics "A. Pontremoli", University of Milan, Milan, Italy.

Wilczek Quantum Center, School of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai, China.

出版信息

Nat Commun. 2025 Jul 1;16(1):5990. doi: 10.1038/s41467-025-61103-7.

DOI:10.1038/s41467-025-61103-7
PMID:40595676
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12219655/
Abstract

The underlying structural disorder renders the concept of topological defects in amorphous solids difficult to apply and hinders a first-principle identification of the microscopic carriers of plasticity and of regions prone to structural rearrangements ("soft spots"). Recently, it has been proposed that well-defined topological defects can still be identified in glasses. However, all existing proposals apply only to two spatial dimensions and are correlated with plasticity. We propose that hedgehog topological defects can be used to characterize plasticity in 3D glasses and to geometrically identify soft spots. We corroborate this idea via simulations of a Kremer-Grest 3D polymer glass, analyzing both the normal mode eigenvector field and the displacement field around large plastic events. Unlike the 2D case, the sign of the topological charge in 3D within the eigenvector field is ambiguous, and the defect geometry plays a crucial role. We find that topological hedgehog defects relevant for plasticity exhibit hyperbolic geometry, resembling 2D anti-vortices having negative winding number. Our results confirm the feasibility of a topological characterization of plasticity in 3D glasses, revealing an intricate interplay between topology and geometry that is absent in 2D disordered systems.

摘要

潜在的结构无序使得非晶态固体中的拓扑缺陷概念难以应用,并阻碍了对塑性微观载体以及易于发生结构重排区域(“软点”)的第一性原理识别。最近,有人提出在玻璃中仍可识别出定义明确的拓扑缺陷。然而,所有现有的提议仅适用于二维空间,且与塑性相关。我们提出刺猬拓扑缺陷可用于表征三维玻璃中的塑性,并从几何角度识别软点。我们通过对Kremer-Grest三维聚合物玻璃的模拟来证实这一想法,分析了大塑性事件周围的正则模本征向量场和位移场。与二维情况不同,本征向量场中三维拓扑电荷的符号不明确,缺陷几何形状起着关键作用。我们发现与塑性相关的拓扑刺猬缺陷呈现双曲线几何形状,类似于具有负缠绕数的二维反涡旋。我们的结果证实了对三维玻璃中的塑性进行拓扑表征的可行性,揭示了二维无序系统中不存在的拓扑与几何之间的复杂相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/386a4bd2715f/41467_2025_61103_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/909829e94e8a/41467_2025_61103_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/4fafe94c1e2c/41467_2025_61103_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/7e1c6ae15d2e/41467_2025_61103_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/57877e37ebae/41467_2025_61103_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/386a4bd2715f/41467_2025_61103_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/909829e94e8a/41467_2025_61103_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/4fafe94c1e2c/41467_2025_61103_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/7e1c6ae15d2e/41467_2025_61103_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/57877e37ebae/41467_2025_61103_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fcc6/12219655/386a4bd2715f/41467_2025_61103_Fig5_HTML.jpg

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本文引用的文献

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Nat Commun. 2025 Jan 2;16(1):55. doi: 10.1038/s41467-024-54857-z.
2
Structural origin of relaxation in dense colloidal suspensions.稠密胶体悬浮液中弛豫的结构起源。
Proc Natl Acad Sci U S A. 2024 Oct 15;121(42):e2405515121. doi: 10.1073/pnas.2405515121. Epub 2024 Oct 9.
3
Clustering of negative topological charges precedes plastic failure in 3D glasses.在三维玻璃中,负拓扑电荷的聚集先于塑性破坏。
PNAS Nexus. 2024 Aug 6;3(9):pgae315. doi: 10.1093/pnasnexus/pgae315. eCollection 2024 Sep.
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Topological characterization of rearrangements in amorphous solids.非晶态固体中重排的拓扑表征
Phys Rev E. 2024 May;109(5):L053002. doi: 10.1103/PhysRevE.109.L053002.
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Finding defects in glasses through machine learning.通过机器学习发现眼镜缺陷。
Nat Commun. 2023 Jul 15;14(1):4229. doi: 10.1038/s41467-023-39948-7.
6
Topological defects reveal the plasticity of glasses.拓扑缺陷揭示了玻璃的塑性。
Nat Commun. 2023 May 24;14(1):2956. doi: 10.1038/s41467-023-38549-8.
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Topology of vibrational modes predicts plastic events in glasses.振动模式的拓扑结构预测玻璃中的塑性事件。
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Stable Assemblies of Topological Defects in Nematic Orientational Order.向列相取向序中拓扑缺陷的稳定组装体
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Deformations, relaxation, and broken symmetries in liquids, solids, and glasses: A unified topological field theory.液体、固体和玻璃中的形变、弛豫及对称性破缺:一种统一的拓扑场论
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