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Anomalous temperature dependence of elastic limit in metallic glasses

Author

Listed:
  • Yifan Wang

    (Stanford University)

  • Jing Liu

    (Zhejiang University)

  • Jian-Zhong Jiang

    (Zhejiang University
    Fuyao University of Science and Technology)

  • Wei Cai

    (Stanford University)

Abstract

Understanding the atomistic mechanisms of inelastic deformation in metallic glasses (MGs) remains challenging due to their amorphous structure, where local carriers of plasticity cannot be easily defined. Using molecular dynamics (MD) simulations, we analyzed the onset of inelastic deformation in CuZr MGs, specifically the temperature dependence of the elastic limit, in terms of localized shear transformation (ST) events. We find that although the ST events initiate at lower strain with increasing temperature, the elastic limit increases with temperature in certain temperature ranges. We explain this anomalous behavior through the framework of an energy-strain landscape (ESL) constructed from high-throughput strain-dependent energy barrier calculations for the ST events identified in the MD simulations. The ESL reveals that the anomalous behavior is caused by the transition of ST events from irreversible to reversible with increasing temperature. An analytical formulation is developed to predict this transition and the temperature dependence of the elastic limit.

Suggested Citation

  • Yifan Wang & Jing Liu & Jian-Zhong Jiang & Wei Cai, 2024. "Anomalous temperature dependence of elastic limit in metallic glasses," Nature Communications, Nature, vol. 15(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-023-44048-7
    DOI: 10.1038/s41467-023-44048-7
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    References listed on IDEAS

    as
    1. Yue Fan & Takuya Iwashita & Takeshi Egami, 2014. "How thermally activated deformation starts in metallic glass," Nature Communications, Nature, vol. 5(1), pages 1-7, December.
    2. Lin Tian & Yong-Qiang Cheng & Zhi-Wei Shan & Ju Li & Cheng-Cai Wang & Xiao-Dong Han & Jun Sun & Evan Ma, 2012. "Approaching the ideal elastic limit of metallic glasses," Nature Communications, Nature, vol. 3(1), pages 1-6, January.
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