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Unveiling hidden particle-level defects in glasses

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  • Yuan-Chao Hu

    (Songshan Lake Materials Laboratory)

  • Hajime Tanaka

    (The University of Tokyo
    Institute of Industrial Science, The University of Tokyo)

Abstract

In crystals, defects are well-defined and crucial to their mechanical properties. In contrast, the structural disorder in glasses makes it challenging to directly identify defects at the particle level. However, low-frequency quasi-localised modes (QLMs) in glasses provide valuable insights, acting as mechanical defects associated with shear transformation zones and soft spots. Using molecular dynamics simulations of two-dimensional glasses, we identify a particle-level defect responsible for generating QLMs. The primary QLM originates from a “key-core” square of four particles vibrating in a two-in, two-out pattern, interpretable as a microscopic Eshelby inclusion. The motion of these particles induces nearby volumetric and far-field shear deformations, forming a characteristic four-leaf pattern. Despite the structural isotropy of the glass, these QLMs introduce notable mechanical anisotropy, particularly in nano-sized glasses. Crucially, pinning the key-core particles dramatically reduces shear modulus anisotropy, confirming their role as “localised particle-level defects.” This discovery deepens our understanding of glass defects and offers valuable insights for nanoscale glass applications.

Suggested Citation

  • Yuan-Chao Hu & Hajime Tanaka, 2025. "Unveiling hidden particle-level defects in glasses," Nature Communications, Nature, vol. 16(1), pages 1-15, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-60781-7
    DOI: 10.1038/s41467-025-60781-7
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    References listed on IDEAS

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    1. Hua Tong & Shiladitya Sengupta & Hajime Tanaka, 2020. "Emergent solidity of amorphous materials as a consequence of mechanical self-organisation," Nature Communications, Nature, vol. 11(1), pages 1-10, December.
    2. Camille Scalliet & Ludovic Berthier & Francesco Zamponi, 2019. "Nature of excitations and defects in structural glasses," Nature Communications, Nature, vol. 10(1), pages 1-10, December.
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    5. Zhao Fan & Evan Ma, 2021. "Predicting orientation-dependent plastic susceptibility from static structure in amorphous solids via deep learning," Nature Communications, Nature, vol. 12(1), pages 1-13, December.
    6. Zhen Wei Wu & Yixiao Chen & Wei-Hua Wang & Walter Kob & Limei Xu, 2023. "Topology of vibrational modes predicts plastic events in glasses," Nature Communications, Nature, vol. 14(1), pages 1-9, December.
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