Table 6 Qn species distribution and network connectivity (NC) for silicon and aluminium in the SAN, SANK and SAK glasses simulated with the different interatomic potentials (PMMCS, Teter, SHIK,GS and CS).
% | PMMCS | Teter | SHIK | GS | CS | ||
|---|---|---|---|---|---|---|---|
SAN | Qn Si | 1 | 0.05 (0.10) | 0.24 (0.12) | 0.17 (0.09) | 0.65 (0.16) | 0.04 (0.08) |
2 | 3.95 (0.52) | 4.80 (0.47) | 3.30 (0.16) | 5.64 (0.19) | 2.20 (0.58) | ||
3 | 37.33 (1.08) | 34.91 (1.55) | 29.29 (0.43) | 32.42 (1.42) | 41.56 (0.82) | ||
4 | 58.65 (0.57) | 60.05 (1.00) | 67.22 (0.61) | 61.27 (1.27) | 56.04 (0.27) | ||
NC | 3.545 | 3.548 | 3.635 | 3.543 | 3.533 | ||
Qn Al | 1 | 0.24 (0.16) | |||||
2 | 0.02 (0.01) | 0.19 (0.17) | 2.84 (0.98) | 0.25 (0.32) | |||
3 | 4.61 (0.83) | 7.81 (1.53) | 27.44 (2.66) | 9.84 (1.45) | 0.53 (0.41) | ||
4 | 95.09 (0.89) | 91.92 (1.35) | 69.35 (2.63) | 89.67 (1.65) | 99.48 (0.41) | ||
NC | 3.942 | 3.915 | 3.656 | 3.887 | 3.995 | ||
SANK | Qn Si | 1 | 0.12 (0.09) | 0.29 (0.13) | 0.10 (0.01) | 1.63 (0.37) | 0.01 (0.01) |
2 | 5.03 (0.39) | 4.55 (0.23) | 3.61 (0.32) | 7.68 (1.06) | 2.31 (0.45) | ||
3 | 34.47 (1.05) | 35.31 (0.65) | 28.95 (0.88) | 25.49 (1.00) | 41.55 (1.03) | ||
4 | 60.36 (0.69) | 59.84 (0.50) | 67.31 (0.62) | 64.95 (0.69) | 56.07 (0.57) | ||
NC | 3.550 | 3.547 | 3.634 | 3.532 | 3.536 | ||
Qn Al | 1 | 0.08 (0.16) | |||||
2 | 0.01 (0.00) | 0.02 (0.03) | 2.22 (0.58) | 0.72 (0.64) | |||
3 | 6.29 (0.66) | 5.42 (1.03) | 28.09 (1.84) | 10.66 (1.97) | 0.56 (0.73) | ||
4 | 93.48 (0.77) | 94.43 (1.07) | 69.37 (1.93) | 87.59 (2.87) | 99.44 (0.73) | ||
NC | 3.928 | 3.940 | 3.662 | 3.838 | 3.994 | ||
SAK | Qn Si | 1 | 0.18 (0.12) | 0.24 (0.10) | 0.07 (0.09) | 2.60 (0.21) | 0.00 (0.00) |
2 | 5.47 (0.50) | 5.08 (0.58) | 2.73 (0.66) | 9.07 (1.00) | 2.54 (0.40) | ||
3 | 33.96 (0.94) | 34.16 (1.01) | 31.01 (0.76) | 21.97 (0.73) | 40.90 (0.79) | ||
4 | 60.40 (0.53) | 60.51 (0.43) | 66.19 (0.33) | 65.59 (1.08) | 56.45 (0.39) | ||
NC | 3.546 | 3.549 | 3.633 | 3.490 | 3.536 | ||
Qn Al | 1 | 0.16 (0.18) | |||||
2 | 0.07 (0.10) | 0.17 (0.17) | 2.53 (1.12) | 1.52 (0.31) | |||
3 | 6.50 (1.19) | 7.82 (1.05) | 28.19 (1.09) | 10.77 (1.27) | 0.91 (0.27) | ||
4 | 93.33 (1.19) | 92.00 (0.89) | 69.25 (2.01) | 86.07 (1.04) | 99.09 (0.27) | ||
NC | 3.930 | 3.918 | 3.666 | 3.798 | 3.991 |