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Mixed alkali effect in glasses.

Jan Swenson¹, Stefan Adams

¹Department of Applied Physics, Chalmers University of Technology, S-412 96 Göteborg, Sweden.

Physical Review Letters

|May 7, 2003

Summary

The mixed alkali effect (MAE) in phosphate glasses is explained by distinct ion pathways. Bond-valence analysis of structural models reveals how different alkali ions block each other, clarifying MAE origins.

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Area of Science:

Materials Science
Solid-State Chemistry
Computational Materials Science

Background:

The mixed alkali effect (MAE) is a well-known phenomenon in mixed alkali glasses, characterized by non-linear changes in properties with alkali composition.
Understanding the MAE is crucial for tailoring glass properties for various applications, but its microscopic origins remain debated.

Purpose of the Study:

To elucidate the microscopic origins of the mixed alkali effect (MAE) in mixed alkali phosphate glasses.
To quantitatively link structural models to experimental observations of the MAE.

Main Methods:

Application of the bond-valence technique to structural models generated by reverse Monte Carlo (RMC) simulations.
Analysis of ion conduction pathways within the glass network.

Main Results:

The MAE was successfully reproduced and explained directly from the structural models for the first time.
Quantitative agreement was achieved between the model and experimental data.
Distinct, low-dimensionality conduction pathways were identified for the different alkali ions.

Conclusions:

The MAE arises from the random mixing of alkali ions, which possess distinct conduction pathways.
A ions effectively block pathways for B ions, and vice versa, leading to the observed MAE.
This study provides a direct structural explanation for the MAE in mixed alkali phosphate glasses.

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