Figure 4 | Scientific Reports

Figure 4

From: Machine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses

Figure 4

(a) Ring-size distribution around silicon atom for OSG, SGUP, and DSG. (b) Mean Si–O–Si atomic energy, \(\bar{e}(\text {Si--O--Si})\) vs Si–O–Si angle, \(\theta _{\text {Si--O--Si}}\). The Si–O–Si atomic energy is calculated from machine-learning potential atomic energy e(i) as \( \bar{e}(\text {Si--O--Si}) = \sum _{i\in \{\text {Si--O--Si}\}} (e(i)-\bar{e}(i)) \), where \(\bar{e}(i)\) is mean atomic energy of silicon and oxygen atoms. The values in \((\cdot )\) in the legends denote the density of silica glass [g/cm\(^{3}\)].

Back to article page