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This study employs molecular dynamics simulations with an EAM potential to investigate the effect of high-temperature annealing on the mechanical properties of Zr85Cu15 metallic glasses (MGs), focusing on regions near (900 K, 950 K, 1000 K) and above (1100 K, 1200 K, 1300 K, 1400 K) the glass transition temperature (Tg ≈ 960 K). Microstructural evolution (analyzed via RDF and CNA) and mechanical response (assessed through uniaxial compression and strain localization) reveal distinct annealing regimes. Near Tg, increasing temperature significantly raises crystalline phase volume fraction (15.3% to 36%) and yield strength (2.04 GPa to 2.66 GPa), but also increases strain localization. Above Tg, crystallinity peaks at 52.9% (1100 K) before sharply decreasing (5.1% at 1300 K). Yield strength drops abruptly at 1100 K due to excessive crystallization but stabilizes (~ 1.82 GPa) above 1300 K, where deformation becomes more homogeneous. Microscopic analysis indicates crystalline phases inhibit localized deformation by occupying shear band formation regions. Moderate crystallization (e.g., 1000 K annealing) enhances stability by expanding the plastic zone, while excessive crystallization (e.g., 1100 K) exacerbates localization and reduces load-bearing capacity.

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Effect of High Temperature Annealing on the Mechanical Properties of Zr85Cu15 Metallic Glasses

  • 会议论文

  • 发表日期：

    2025年

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  • Jinhua Zhang,
  • Zailin Yang,
  • Yong Yang

摘要

This study employs molecular dynamics simulations with an EAM potential to investigate the effect of high-temperature annealing on the mechanical properties of Zr85Cu15 metallic glasses (MGs), focusing on regions near (900 K, 950 K, 1000 K) and above (1100 K, 1200 K, 1300 K, 1400 K) the glass transition temperature (Tg ≈ 960 K). Microstructural evolution (analyzed via RDF and CNA) and mechanical response (assessed through uniaxial compression and strain localization) reveal distinct annealing regimes. Near Tg, increasing temperature significantly raises crystalline phase volume fraction (15.3% to 36%) and yield strength (2.04 GPa to 2.66 GPa), but also increases strain localization. Above Tg, crystallinity peaks at 52.9% (1100 K) before sharply decreasing (5.1% at 1300 K). Yield strength drops abruptly at 1100 K due to excessive crystallization but stabilizes (~ 1.82 GPa) above 1300 K, where deformation becomes more homogeneous. Microscopic analysis indicates crystalline phases inhibit localized deformation by occupying shear band formation regions. Moderate crystallization (e.g., 1000 K annealing) enhances stability by expanding the plastic zone, while excessive crystallization (e.g., 1100 K) exacerbates localization and reduces load-bearing capacity.