Table 7 Cation-cation average coordination numbers of the first coordination sphere in the SAN, SANK and SAK glasses simulated with the different interatomic potentials (PMMCS, Teter, SHIK, GS and CS). Standard deviations are reported in parenthesis.

From: Structural origins of the Mixed Alkali Effect in Alkali Aluminosilicate Glasses: Molecular Dynamics Study and its Assessment

 

<CN>

PMMCS

Teter

SHIK

GS

CS

SAN

Al-Na

4.88 (0.05)

4.87 (0.06)

4.54 (0.04)

4.52 (0.05)

4.52 (0.11)

Si-Na

4.77 (0.02)

4.60 (0.04)

4.00 (0.03)

4.45 (0.02)

4.59 (0.02)

Na-Na

4.56 (0.02)

5.50 (0.05)

4.82 (0.03)

6.05 (0.03)

5.10 (0.04)

SANK

Al-Na

2.34 (0.06)

2.17 (0.05)

2.07 (0.11)

2.34 (0.05)

1.81 (0.06)

Al-K

2.51 (0.06)

2.77 (0.04)

3.00 (0.04)

2.17 (0.07)

2.65 (0.09)

Si-Na

2.22 (0.03)

2.16 (0.01)

1.75 (0.02)

2.22 (0.04)

1.97 (0.03)

Si-K

2.45 (0.03)

2.59 (0.03)

2.57 (0.01)

2.37 (0.03)

2.55 (0.02)

Na-Na

2.06 (0.04)

2.18 (0.08)

2.55 (0.12)

1.42 (0.07)

2.17 (0.06)

Na-K

2.30 (0.03)

2.38 (0.06)

2.40 (0.03)

2.10 (0.07)

2.35 (0.02)

K-K

2.75 (0.07)

2.49 (0.08)

2.24 (0.09)

4.02 (0.05)

2.70 (0.04)

SAK

Al-K

5.25 (0.02)

5.31 (0.09)

5.38 (0.05)

3.41 (0.27)

4.63 (0.05)

Si-K

4.79 (0.01)

4.89 (0.05)

4.76 (0.02)

4.52 (0.11)

4.76 (0.06)

K-K

5.16 (0.03)

4.48 (0.06)

5.21 (0.03)

5.84 (0.11)

5.36 (0.04)