Table 5 Percentage of the different oxygen typologies (NBO, BO, and TBO) in the SAN, SANK and SAK glasses simulated with the different interatomic potentials (PMMCS, Teter, SHIK, GS and CS).
%Oxygen | PMMCS | Teter | SHIK | GS | CS | |
|---|---|---|---|---|---|---|
SAN | NBO | 16.40 (0.04) | 16.66 (0.10) | 16.43 (0.09) | 17.13 (0.18) | 16.24 (0.05) |
BO | 83.44 (0.07) | 83.00 (0.16) | 83.21 (0.13) | 81.93 (0.34) | 83.68 (0.12) | |
TBO | 0.17 (0.04) | 0.33 (0.07) | 0.32 (0.05) | 0.94 (0.17) | 0.08 (0.07) | |
SANK | NBO | 16.42 (0.07) | 16.44 (0.05) | 16.35 (0.17) | 17.62 (0.12) | 16.29 (0.08) |
BO | 83.40 (0.13) | 83.39 (0.10) | 83.30 (0.20) | 80.61 (0.38) | 83.63 (0.14) | |
TBO | 0.19 (0.06) | 0.17 (0.06) | 0.30 (0.09) | 1.67 (0.23) | 0.09 (0.06) | |
SAK | NBO | 16.62 (0.10) | 16.60 (0.09) | 16.48 (0.08) | 19.18 (0.35) | 16.26 (0.06) |
BO | 83.02 (0.19) | 83.13 (0.16) | 83.28 (0.16) | 76.28 (0.76) | 83.67 (0.08) | |
TBO | 0.36 (0.09) | 0.27 (0.07) | 0.25 (0.08) | 4.02 (0.41) | 0.08 (0.03) |
