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Measuring the Densities of Aqueous Glasses at Cryogenic Temperatures
Published on: June 28, 2017
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The correlation between fragility, density, and atomic interaction in glass-forming liquids
Lijin Wang1, Pengfei Guan1, W H Wang2
1Beijing Computational Science Research Center, Beijing 100193, People's Republic of China.
The Journal of Chemical Physics
|July 25, 2016
Summary
Investigating liquid fragility near the glass transition, this study reveals three distinct dynamic regions in repulsive systems. Adding attraction can tune fragility, with effects predictable from structural properties.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Computational Chemistry
Background:
- Fragility governs temperature-dependent liquid viscosity near the glass transition.
- Understanding fragility's dependence on atomic interactions is crucial for designing glass materials.
Purpose of the Study:
- To investigate the landscape of fragility in glass-forming liquids with varying repulsive softness and densities.
- To unify inconsistencies regarding the repulsive softness dependence of fragility.
- To explore the influence of attractive interactions on fragility.
Main Methods:
- Molecular dynamic simulations were employed.
- Analysis focused on purely repulsive systems and systems with added nonperturbative attraction.
- Structural properties of zero-temperature glasses were used for estimation.
Main Results:
- A three-region landscape (RI, RII, RIII) of fragility with distinct dynamic behaviors was identified in purely repulsive systems.
- Region RI shows "softness makes strong glasses," RII's fragility depends only on density, and RIII exhibits constant fragility.
- Adding attraction can tune glass formers to be more fragile, with effects predictable from structural properties.
Conclusions:
- Density plays a significant and unexpected role in the repulsive softness dependence of fragility.
- A unified understanding of fragility's dependence on repulsive softness is achieved.
- Attractive interactions significantly influence fragility, and their effects can be estimated from structural analysis.
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