## 3 Results  
Figure 2 provides a visual representation of the \(1\times 1\) unit cell of the 6P55-5B glass composition with a magnified view, specifying the presence of multiple bond types exhibited within the glass tetrahedra from the MD simulation. We observe two bonding behaviors displayed by boron, which are sp\({}^{2}\) and sp\({}^{3}\) covalent bonds with sp\({}^{3}\) bonds present in silica, and the presence of free ions such as calcium and potassium within the system. This is supported in the bond angle distribution graphs presented in Figure 3 by the peaks present. The bond angle distribution provides an insight into the overall molecular geometry and the local order within the glass tetrahedra, as it typically analyzes the distribution of bond angles in a molecule. Therefore, it confirms the primary geometry displayed by boron and silica throughout the glass series. Figure 2: (**Left**) \(1\times 1\) unit cell displaying bonds within the 5B glass composition structure obtained from MD simulation at 300 K. (**Right**) Microscopic view of unit cell indicating various bonds present within the glass tetrahedra. Table 1 presents the weight percent (wt%) of the material components in the glass composition series, along with the measured densities for each composition. A clear trend is observed; as the amount of boron is increased, the density of the glass decreases. This decrease in density is accompanied by a reduction in the glass transition temperature (\(T_{\rm g}\)), as indicated by the differential scanning calorimetry (DSC) analysis pictured in Figure 4 (left). Differential scanning calorimetry is a valuable technique for assessing the heat energy uptake of materials [20]. Here, it is employed to establish a thermodynamic connection between temperature and specific physical properties of the glass series over time. The correlation between the decreasing density and the lower glass transition temperature (Figure 4 right) with increasing boron content is significant, as it provides insights into the structural changes occurring within the glass network. Understanding this relationship is crucial for predicting the ideal sintering temperatures for each glass composition, particularly in the context of coating Ti\(\delta\)AlV. The density changes, which reflect alterations in the glass structure, help explain the observed variations in thermal properties and assist in optimizing processing conditions for the coating process. Coordination numbers (CNs) are crucial for identifying bridging oxygens (BOs) and non-bridging oxygens (NBOs) in a system revealing bonding arrangements. BOs link two glass-forming polyhedral (e.g., SiO\({}_{4}\)), while NBOs connect a tetrahedron to a glass  
Figure 4: Differential scanning calorimetry (DSC) of glass composition series with indicated \(T_{\rm g}\) and the trend compared to the density. Figure 3: Bond angle distribution obtained from MD simulation at 300 K (**left**). The insert is the gauss fitting for dF55-5B, the fitted peaks are assigned to \({}^{\rm IV}\)B and \({}^{\rm III}\)B, as seen in the enlarged figure. Boron coordination per composition for the entire series in study and (**right**) bond angle distribution graph of O-Si-O bonding for entire composition series. modifier through weaker bonds. Table 2 details the BO and NBO proportions from MD simulations, showing that bridging oxygens increase with higher boron concentrations in the glass composition. The oxygen packing density (OPD) is a measurement of how tightly packed the oxides are in a glass network. It influences the structural formation and the presence of low-energy vibration with the glass tetrahedra. The OPD is determined by the following equation:  
\[\text{OPD (computational)}=\sum\frac{n_{i}}{V_{t}}, \tag{2}\]  
where \(n_{i}\) = number of oxygen atoms in that oxide, and \(V_{t}\) = total volume of simulation cell.