## 3 Results
\[\text{OPD (Experimental)}=\frac{1000\times\rho\times O}{M} \tag{3}\]  
\[\text{Molecular volume}=\frac{M}{\rho} \tag{4}\]  
where \(\rho\) = mass density, \(M\) = molecular weight of glass composition, and \(O\) = number of oxygen atoms in the composition. Figure 5 and Table 2 indicate that while computational OPD values consistently decrease with increasing boron substitution, experimental values exhibit more variation. This discrepancy may stem from differences in atomic arrangements between the glass structure and free oxide molecules, as well as fluctuations in experimental versus computational densities. The \(Q^{n}\) distribution serves as a fundamental tool for analyzing the structure of glass networks, representing the average number of bridging oxygens connected to a given glass-forming polyhedron [21]. A comprehensive examination of Table 3 and Figure 6, which represents the \(Q^{n}\) distribution with respect to silicon as a response to increased boron substitution, reveals a diverse distribution of the \(Q^{n}\) species, predominantly comprising \(Q^{3}\) species, accompanied by lesser proportions of \(Q^{1}\), \(Q^{2}\), and \(Q^{4}\) species. The data reflect the impact of boron substitution on the silica network in the glass compositions. While the presence of boron reduces certain structural features associated with silicon, reflected in the \(Q^{1}\) and \(Q^{2}\) values, it may simultaneously enhance network stability or connectivity in other aspects, indicated by the increase in \(Q^{4}\) species. The increase in \(Q^{4}\) indicates that the network might still be undergoing structural changes that enhance connectivity or stability, potentially due to the different bonding characteristics of boron compared to silicon. \begin{table}
\begin{tabular}{c c c c c} \hline
**Glass Name** & **\%NBO** & **\%BO** & **OPD (Computational)** & **OPD (Experimental)** \\ \hline
6P55-0B & 54.306 & 45.198 & 73.44 & 73.21 \\
6P55-5B & 49.334 & 50.219 & 72.44 & 71.87 \\
6P55-10B & 49.280 & 50.491 & 71.52 & 72.54 \\
6P55-15B & 46.987 & 52.788 & 70.67 & 73.22 \\ \hline \end{tabular}
\end{table} 
Table 2: Oxygen speciation in the simulated glass series at 300 K. \begin{table}
\begin{tabular}{c c c c c} \hline
**Glass** & \(Q^{1}\) & \(Q^{2}\) & \(Q^{3}\) & \(Q^{4}\) \\ \hline
6P55-0B & 8.978 & 32.25 & 39.324 & 18.284 \\
6P55-5B & 8.857 & 25.999 & 42.428 & 21.359 \\
6P55-10B & 5.843 & 28.406 & 42.784 & 22.119 \\
6P55-15B & 7.078 & 24.192 & 43.572 & 24.527 \\ \hline \end{tabular}
\end{table} 
Table 3: \(Q^{n}\) distribution of the silicon glass network in response to increased boron substitution. Table 4 represents the \(Q^{n}\) distribution of boron in response to the boron substitution increase in the glass composition series and depicts the effect that boron substitution has on the structural \(Q^{n}\) species throughout the composition series. \(Q^{1}\) values rise significantly from 0 in 6P55-0B to around 16 in 6P55-10B and stabilize in 6P55-15B, indicating that boron substitution is a good candidate for boron substitution. The \(Q^{n}\) distribution of boron in response to the boron substitution increase in the glass composition series and depicts the effect that boron substitution has on the structural \(Q^{n}\) species throughout the composition series. \(Q^{1}\) values rise significantly from 0 in 6P55-0B to around 16 in 6P55-15B and stabilize in 6P55-15B, indicating that boron substitution is a good candidate for boron substitution. Figure 5: **(a)** Bar graph indicating the volume of O\({}_{2}-\) atoms (in percent) in each glass series system per total population of atoms within the computed system. The amount of atoms are displayed in accordance with their coordination number, and the atoms are identified by color based on their composition. A coordination number of 1 represents the volume of non-bridging oxygens (NBOs) in the system while a coordination number of 2 represents bridging oxygens (BOs) within the system.