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UniversalLab's Advanced XRD Analysis Contributes to Breakthrough Metallurgical Research

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Innovative Research on Liquid Metal-Oxide Interactions Published in Prestigious Journal

UniversalLab, a leading materials characterization laboratory based in Switzerland, has collaborated with researchers at KTH Royal Institute of Technology on a groundbreaking study exploring the wettability of liquid iron on refractory oxides. The research, recently published in the prestigious journal ACS Applied Materials & Interfaces, combines experimental techniques with first-principles calculations to understand crucial interactions in high-temperature metallurgical processes.

Addressing Key Challenges in Steel Production

The study addresses one of the persistent challenges in steel manufacturing: the clogging of submerged entry nozzles due to interactions between liquid iron and refractory oxides. These oxides—alumina, calcia, magnesia, silica, and zirconia—serve dual roles as components of refractory materials in submerged entry nozzles and as constituents of nonmetallic inclusions in the melt.

Dr. Wen Chen, representing UniversalLab, explains: "Understanding the physicochemical interactions between liquid iron and these oxides is critical for optimizing cast iron and steel production. Our contribution to this research centered on providing precise crystallographic data through advanced X-ray diffraction analysis."

fig1
Figure 1. Work of adhesion W is determined from the interfacial energy γ13, the surface tension γ1 of the liquid iron, and the surface energy γ3 of the refractory oxide. The material properties are represented by the dielectric function εi(ω). We model the Casimir–Lifshitz cross-interface interactions with a three-layer system, Fe(liq)//oxide, where the interlayer describes an auxiliary gap with thickness d0 between the liquid iron and the oxide surface. The resulting contact angle, θ is a measure of the wettability.

UniversalLab's Critical Contribution

UniversalLab's involvement was instrumental in validating the theoretical foundations of the research. The team:

  • Designed comprehensive XRD testing protocols specifically for refractory oxide powders
  • Conducted high-precision room-temperature X-ray diffraction measurements using a Bruker D2 diffractometer
  • Performed detailed data analysis to determine accurate lattice constants of crystal structures
  • Provided expert interpretation of XRD patterns to confirm the structures predicted by density functional theory (DFT)

"The experimental validation through XRD was essential to establish confidence in our theoretical models," noted one of the lead researchers from KTH. "UniversalLab's expertise in materials characterization provided the empirical foundation upon which we could build our more complex analyses."

Innovative Methodological Approach

The research introduces a novel methodology that combines materials' dielectric responses, computed within density functional theory, with Casimir-Lifshitz dispersion forces to generate Hamaker constants. This approach provides a comprehensive understanding of the wettability of iron against refractory oxides.

The contact angles of liquid iron on the oxides were experimentally validated with a sessile drop system at a temperature of 1823 K (approximately 1550°C). For comparison, the study also presents the wettability of the oxides by a liquid tin-bismuth alloy.

Implications for Industrial Applications

The findings from this collaborative research are expected to advance fundamental understanding of interfacial interactions in metallurgical science and drive the development of more efficient and reliable steelmaking processes.

"This work exemplifies how theoretical modeling combined with precise experimental validation can lead to practical solutions for industrial challenges," says Dr. Chen. "By understanding these interactions at both molecular and macroscopic levels, we can develop strategies to mitigate nozzle clogging and improve steel quality."

About UniversalLab

UniversalLab specializes in advanced materials characterization, providing analytical services and research support to academic institutions and industry partners worldwide. With state-of-the-art instrumentation and expertise in various analytical techniques, UniversalLab helps bridge the gap between theoretical research and practical applications.

For more information about UniversalLab's services or to explore potential collaborations, visit www.universallab.org.

Reference:
Kuthe, S., Boström, M., Chen, W., Glaser, B., & Persson, C. (2025). Exploring Wettability of Liquid Iron on Refractory Oxides with the Sessile Drop Technique and Density Functional-Derived Hamaker Constants. ACS Applied Materials & Interfaces, 17(7), 16173-16186. https://doi.org/10.1021/acsami.4c21877

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