Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses.
Baral K, Li A, Ching WY.
Baral K, et al. Among authors: li a.
J Phys Chem A. 2017 Oct 12;121(40):7697-7708. doi: 10.1021/acs.jpca.7b06530. Epub 2017 Oct 3.
J Phys Chem A. 2017.
PMID: 28930458
The structural environments and spatial distributions of alkali ions in the 10 simulated models with 20% and 30% of Li, Na, K and equal proportions of Li-Na and Na-K are studied in detail for subtle variations among the models. ...The mixed alkali effect (MAE) is vi …
The structural environments and spatial distributions of alkali ions in the 10 simulated models with 20% and 30% of Li, Na, K and equ …