Theoretical Evaluation of Elastic and Radiation Shielding Properties of Tungsten–Sodium–Zinc–Borate Glass Doped α-Fe2O3 Nanoparticles

Abstract

This study investigates the elastic, mechanical, and radiation shielding properties of tungsten–sodium–zinc–borate (B₂O₃–WO₃–Na₂O–ZnO) glasses containing α-Fe₂O₃ nanoparticles. Elastic and mechanical parameters were evaluated using the Makishima–Mackenzie model to assess the influence of α‑Fe₂O₃ content on the glass system. The calculated bulk modulus reached 203.76 GPa at 1 mol % α-Fe₂O₃, while the estimated microhardness and fractional bond (dimensionless) connectivity attained maximum values of 16.39 GPa and 7.46, respectively. Radiation shielding performance was assessed using Monte Carlo N‑Particle (MCNP5) simulations over a photon energy range of 0.20–15.0 MeV, with results validated using the Phy-X/PSD platform. Among the studied compositions, the BWF1 sample (1 mol % α-Fe₂O₃) exhibited the highest shielding efficiency, achieving a maximum mass attenuation coefficient of 0.273 cm²/g at 0.2 MeV. Improvements in shielding parameters, including reduced mean free path and half-value layer, are associated with compositional changes and increased effective atomic number resulting from α-Fe₂O₃ addition. These results indicate that α-Fe₂O₃-containing borate glasses are promising candidates for radiation shielding applications in medical, environmental, and industrial fields, while further structural studies are required for detailed understanding and optimization.