The structural response of network former mixing in barium borosilicate glasses: Part 1

Brehl M, Moulton B, Xie W, Cicconi MR, Tagiara NS, Möncke D, Hajian A, Deisinger U, Roosen A, Schmid U, Kamitsos EI, Du J, de Ligny D (2026)

Publication Type: Journal article

Publication year: 2026

Journal

Book Volume: 109

Article Number: e70459

Journal Issue: 1

DOI: 10.1111/jace.70459

Abstract

A glass series with constant ∼30 mol% BaO in the BaO–B2O3–SiO2 system was studied as a function of SiO2/B2O3 ratio. This system has been studied in-depth to reveal the structure, Part 1, and its relationship to the mechanical properties, Part 2. Both the B coordination and network polymerization are quantified both experimentally, using Raman, IR, and ¹¹B NMR spectroscopies, and theoretically, using classical molecular dynamics (MD) simulations with effective partial charge potentials with composition dependent boron parameters. These results show that ^IIIB, threefold-coordinated boron, increases linearly with increasing boron, at the expense of ^IVB. The Q³ equilibrium constant decreases slightly with boron addition up to 37 mol%, whereas at greater B2O3 contents, the silica tetrahedra become more polymerized. These trends are reinforced by MD simulation results, which show that the average connectivity, polymerization, and ring size are directly related. The glass transition temperature increases with increasing silica content, where the range of temperatures follows the packing density. The BaO–B2O3–SiO2 system shows systematic trends from high to low oxygen packing between the binary borate glasses to the binary silicate glasses, indicating a high degree of predictability for properties controlled by density.

Authors with CRIS profile

Involved external institutions

University of North Texas (UNT) United States (USA) (US) National Hellenic Research Foundation (NHRF) / Εθνικό Ίδρυμα Ερευνών Greece (GR) Alfred University United States (USA) (US) Technische Universität Wien / Vienna University of Technology Austria (AT)

How to cite

APA:

Brehl, M., Moulton, B., Xie, W., Cicconi, M.R., Tagiara, N.S., Möncke, D.,... de Ligny, D. (2026). The structural response of network former mixing in barium borosilicate glasses: Part 1. Journal of the American Ceramic Society, 109(1). https://doi.org/10.1111/jace.70459

MLA:

Brehl, Martin, et al. "The structural response of network former mixing in barium borosilicate glasses: Part 1." Journal of the American Ceramic Society 109.1 (2026).

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