Table 3 Experimental and calculated logarithm of resistivity, ρ, measured along X direction for the SAN, SANK and SAK glasses simulated with the different interatomic potentials (PMMCS, Teter, SHIK, GS and CS).

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

log ρ (ρ in cm·Ω) X direction

EXP

T (K)

SAN

SANK

SAK

ΔA

ΔB

ΔC

 

279.4

8.34

13.26

8.82

4.92

4.44

0.48

371.6

6.20

9.88

6.62

3.68

3.26

0.42

421.1

6.16

8.29

5.65

2.13

2.64

−0.51

PMMCS

550

3.15 (0.04)

3.18 (0.06)

2.51 (0.09)

0.03

0.67

−0.64

650

2.58 (0.06)

2.68 (0.10)

2.06 (0.07)

0.09

0.62

−0.52

800

1.88 (0.01)

1.94 (0.07)

1.56 (0.08)

0.05

0.38

−0.32

950

1.37 (0.06)

1.47 (0.05)

1.27 (0.03)

0.10

0.20

−0.10

Teter

550

3.05 (0.05)

3.60 (0.10)

3.12 (0.04)

0.55

0.48

0.07

650

2.44 (0.18)

2.96 (0.06)

2.62 (0.07)

0.52

0.35

0.17

800

1.83 (0.13)

2.30 (0.03)

2.00 (0.10)

0.46

0.30

0.16

950

1.35 (0.09)

1.79 (0.05)

1.71 (0.03)

0.44

0.08

0.36

SHIK

650

2.94 (0.14)

4.03 (0.08)

4.43 (0.18)

1.09

−0.40

1.48

800

2.09 (0.09)

2.93 (0.05)

3.45 (0.14)

0.85

−0.52

1.36

950

1.59 (0.02)

2.31 (0.05)

2.82 (0.21)

0.72

−0.51

1.24

GS

370

2.64 (0.11)

2.41 (0.09)

1.22 (0.05)

−0.23

1.19

−1.42

420

2.35 (0.05)

2.06 (0.03)

1.00 (0.02)

−0.28

1.06

−1.34

500

1.87 (0.08)

1.65 (0.07)

0.77 (0.10)

−0.22

0.89

−1.11

CS

950

2.94 (0.13)

3.74 (0.13)

3.21 (0.04)

0.80

0.53

0.27

1190

1.85 (0.08)

2.22 (0.01)

1.70 (0.04)

0.38

0.53

−0.15

1350

1.58 (0.07)

1.84 (0.02)

1.46 (0.03)

0.27

0.39

−0.12

  1. The last three columns: ΔA and ΔB are the differences of log ρ between SANK and SAN or SAK respectively, ΔC is the difference between SAK and SAN. Standard deviations are reported in parenthesis.
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