Unveiling hidden particle-level defects in glasses

Yuan-Chao Hu () and Hajime Tanaka ()
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Yuan-Chao Hu: Songshan Lake Materials Laboratory
Hajime Tanaka: The University of Tokyo

Nature Communications, 2025, vol. 16, issue 1, 1-15

Abstract: 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.

Date: 2025
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DOI: 10.1038/s41467-025-60781-7

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