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Icosahedron-dominated tension–compression asymmetry and brittle–ductile transition of metallic glass

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Abstract

Molecular dynamics simulation was used to study the tension–compression asymmetry and brittle–ductile transition of Ni–Al metallic glass. We found the cooling rate has little influence on its tension–compression asymmetry. Their mechanical properties depend on the components. When the content of Al element is high, the low content of icosahedral clusters leads to poor mechanical properties. Meanwhile, the tension–compression asymmetry is more obvious with the high aspect ratio, which is positively correlated with the content of icosahedral clusters. Compared with aspect ratio, cooling rate and composition have little effect on brittle–ductile transition. The icosahedral clusters transform from low to high symmetry under tensile and compressive loads, accompanied by irreversible atomic rearrangements near the shear bands, leading to limited plasticity. The rejuvenation rate of icosahedral clusters is faster in metallic glasses with high aspect ratio, leading to brittle fracture, which is the mechanism of brittle–ductile transition behavior of metallic glasses.

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Data availability

The data that support the findings of this study are available from the corresponding author upon reasonable request.

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Funding

This study is supported by the Open Fund of Hubei Key Laboratory of Mechanical Transmission and Manufacturing Engineering at Wuhan University of Science and Technology (MTMEOF2021B05).

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Authors and Affiliations

  1. School of Mechanical and Electronic Engineering, Wuhan University of Technology, Wuhan, 430070, People’s Republic of China

    **gui Yu, Chunliu Han, Fa** Yu & Qiaoxin Zhang

  2. School of Materials Science and Engineering, Wuhan University of Technology, Wuhan, 430070, People’s Republic of China

    Chao Dong

  3. Hubei Key Laboratory of Mechanical Transmission and Manufacturing Engineering, Wuhan University of Science and Technology, Wuhan, 430081, People’s Republic of China

    **gui Yu, Gang Zhao & Caiyun Gong

  4. Centre for Theoretical and Computational Molecular Science, Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, St Lucia, QLD, 4072, Australia

    Mingchao Wang

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  1. **gui Yu
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Correspondence to **gui Yu or Mingchao Wang.

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Yu, J., Han, C., Yu, F. et al. Icosahedron-dominated tension–compression asymmetry and brittle–ductile transition of metallic glass. Journal of Materials Research 38, 3901–3912 (2023). https://doi.org/10.1557/s43578-023-01107-5

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