Prediction of the linear/nonlinear optical, kinetics, mechanical and gamma-ray shielding features of MgO-WO3-TeO2-BaO glasses

This work focused on investigating the mechanical, optical features and gamma-ray shielding parameters of different five glasses coded as W1, W2, W3, W4, and W5 based on 0.8[xBaO (1-x)MgO]−0.2WO3−2TeO2:x = 0, 0.3, 0.5, 0.7, and 1 mol%. According to Makishima–Mackenzie’s model, the total ionic packing density (Vt) and the total dissociation energy (Gt) for the investigated glasses were computed. Then, the main mechanical features (elastic moduli and Poisson's ratio) haven been calculated. The optical features such as optical electronegativity (χ*) and linear dielectric susceptibility (χ(1)) and other related parameters for the W1–W5 glasses were also computed. Utilizing the newly Phy-X/PSD program, mass attenuation coefficient (MAC) has been computed. Based on MAC values, linear attenuation coefficient (LAC), half value layer (HVL), mean free path (MFP), and effective atomic number (Zeff) as radiation shielding parameters were evaluated. Results revealed that the (Vt) increased from 0.39 to 0.49, while (Gt) decreased from 84.94 × 106 to 45.33 × 106 (KJ/m3) for W1 to W5 glasses. The elastic properties varied from 76.21 to 44.32 GPa for Young's modulus, from 29.25 to 18.23 GPa for shear modulus, from 32.29 to 26.00 GPa for bulk modulus, from 70.91 to 50.30 GPa for longitudinal modulus, and from 0.15 to 0.22 for Poisson’s ratio. The value of χ* changed from 0.84 to 0.41, while χ(1) changed from 0.62 to 0.36. HVL and MFP values are in the ascending order of W1 > W2 > W3 > W4 > W5. Therefore, the W5 glass (contains the highest concentration of BaO) has the best radiation shielding efficiency among the other samples W1–W4. Correlations between shielding features (MAC and HVL) at different photon energy are estimated, where MAC and HVL have been improved by increasing the BaO in W1–W5 glasses.