Abstract
The atomic-scale structural rearrangement of glasses on applied stress is central to the understanding of their macroscopic mechanical properties and behaviour. However, experimentally resolving the atomic-scale structural changes of a deformed glass remains challenging due to the disordered nature of the glass structure. Conventional structural analyses such as X-ray diffraction are based on the assumption of structural isotropy and hence cannot discern the subtle atomic-scale structural rearrangement induced by deformation. Here we show that structural anisotropy correlates with non-affine atomic displacements—meaning those that do not preserve parallel lines in the atomic structure—in various types of glass. This serves as an approach for identifying the atomic-scale non-affine deformation in glasses. We also uncover the atomic-level mechanism responsible for plastic flow, which differs between metallic glasses and covalent glasses. The non-affine structural rearrangements in metallic glasses are mediated through the stretching or contraction of atomic bonds. The non-affinity of covalent glasses that occurs in a less localized manner is mediated through the rotation of atomic bonds or chains without changing the bond length. These findings provide key ingredients for exploring the atomic-scale process governing the macroscopic deformation of amorphous solids.
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Data availability
The data that support the findings of this study are available via Figshare at https://doi.org/10.6084/m9.figshare.23515368. Source data are provided with this paper.
Code availability
Code data are available from the corresponding authors upon reasonable request.
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Acknowledgements
This research was supported by the National Key Research and Development Plan with grant no. 2018YFA0703603 (B.S.); the Guangdong Major Project of Basic and Applied Basic Research of China with grant nos. 2019B030302010 (W.W.) and 2020B1515120092 (B.S.); the National Natural Science Foundation of China (NSFC) with grant nos. 52192601 (H.B.), 52192602 (B.S.), 61888102 (W.W.) and 52001272 (Y.T.); and the Strategic Priority Research Program of Chinese Academy of Sciences with grant no. XDB30000000 (W.W.). W.D. and T.E. were supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. H.P. acknowledges the computer resources provided by High Performance Computing Cluster (HPC) of Central South University.
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H.B. and B.S. conceived and supervised the project. J.D. prepared the materials and performed the mechanical and thermal experiments. H.P. performed the MD simulations. H.W., Y.T. and W.D. performed the high-energy XRD experiments. J.D., Y.T., H.P., Y.W. and B.S. performed the data analysis and wrote the manuscript with input from all the other co-authors. T.E., W.W. and H.B. discussed the results and revised the manuscript.
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Dong, J., Peng, H., Wang, H. et al. Non-affine atomic rearrangement of glasses through stress-induced structural anisotropy. Nat. Phys. 19, 1896–1903 (2023). https://doi.org/10.1038/s41567-023-02243-9
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DOI: https://doi.org/10.1038/s41567-023-02243-9
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