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<p>Flux viscosity influences heat distribution and mass transfer in the molten pool, directly dictating the service performance of submerged arc welding. By employing spectroscopic analysis and molecular dynamics simulations, the present study systematically investigates the impact of ZrO<sub>2</sub> content on viscosity and structural evolution in CaF<sub>2</sub>–SiO<sub>2</sub>–CaO–ZrO<sub>2</sub> (2–10 mass pct) fluxes. It is demonstrated that, between 1300&#xa0;°C and 1500&#xa0;°C, the viscosity is significantly reduced with increasing ZrO<sub>2</sub> content. Raman spectroscopy analysis shows that ZrO<sub>2</sub> disrupts [SiO<sub>4</sub>]-tetrahedral bridging, leading to depreciated <i>Q</i><sup>3</sup> but enhanced <i>Q</i><sup>0</sup> and <i>Q</i><sup>1</sup> contents, respectively, while raising the NBO/Si ratio from 1.41 to 1.59. Molecular dynamics simulations demonstrate that Zr<sup>4+</sup> is manifested in [ZrO<sub>6</sub>]-octahedra, decreasing O–Si–O and Si–O–Si bond angles. The weak self-polymerization ability of [ZrO<sub>6</sub>]-octahedra facilitates the substitution of Si–O–Si with Si–O–Zr bonds, resulting in a decline in bridging oxygen. These results unveil the unique functions enabled by ZrO<sub>2</sub> serving as a viable solution toward designing high-performance welding fluxes.</p>

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Exploring the Role of ZrO2 on Viscosity and Structure of CaF2–SiO2–CaO–ZrO2 Welding Fluxes

  • 期刊论文

  • 发表日期：

    2025年7月31日

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  • Xiaoxi Song,
  • Yanyun Zhang,
  • Hang Yuan,
  • Zushu Li,
  • Cong Wang

摘要

Flux viscosity influences heat distribution and mass transfer in the molten pool, directly dictating the service performance of submerged arc welding. By employing spectroscopic analysis and molecular dynamics simulations, the present study systematically investigates the impact of ZrO2 content on viscosity and structural evolution in CaF2–SiO2–CaO–ZrO2 (2–10 mass pct) fluxes. It is demonstrated that, between 1300 °C and 1500 °C, the viscosity is significantly reduced with increasing ZrO2 content. Raman spectroscopy analysis shows that ZrO2 disrupts [SiO4]-tetrahedral bridging, leading to depreciated Q3 but enhanced Q0 and Q1 contents, respectively, while raising the NBO/Si ratio from 1.41 to 1.59. Molecular dynamics simulations demonstrate that Zr4+ is manifested in [ZrO6]-octahedra, decreasing O–Si–O and Si–O–Si bond angles. The weak self-polymerization ability of [ZrO6]-octahedra facilitates the substitution of Si–O–Si with Si–O–Zr bonds, resulting in a decline in bridging oxygen. These results unveil the unique functions enabled by ZrO2 serving as a viable solution toward designing high-performance welding fluxes.