Influence of Density\nand Pressure on Glass Formation\nin the Kob–Andersen Model

We systematically study glass formation in the well-known\nKob–Andersen\nmodel over a wide range of densities and pressures as a basis for\njudging the “universality” of glass formation through\na comparison to a recent systematic study of model polymeric glass-forming\nliquids. Our purpose is to establish general characteristics of glass\nformation, to identify new relations, and to discern which properties\nof glass-forming liquids are material-specific and which are “universal.”\nTo this end, we analyze a number of characteristic properties of glass\nformation, such as the structural relaxation time, self-diffusion\ncoefficient, viscosity, characteristic temperatures, and fragility.\nWe also consider a suite of properties presumably related to dynamic\nheterogeneity in an attempt to better understand its relation to structural\nrelaxation. We demonstrate that the glassy dynamics in the Kob–Andersen\nmodel exhibit many of the essential trends observed in polymeric glass-forming\nliquids, pointing to a remarkable “universality” of\nmany aspects of glass formation.

Publication Details

Journal
Figshare
Published
2024-10-01
DOI
https://doi.org/10.1021/acs.jpcb.4c04721.s001
Primary Topic
Material Dynamics and Properties
Type
article
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article

Influence of Density\nand Pressure on Glass Formation\nin the Kob–Andersen Model

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Material Dynamics and Properties
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Influence of Density\nand Pressure on Glass Formation\nin the Kob–Andersen Model

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Abstract

We systematically study glass formation in the well-known\nKob–Andersen\nmodel over a wide range of densities and pressures as a basis for\njudging the “universality” of glass formation through\na comparison to a recent systematic study of model polymeric glass-forming\nliquids. Our purpose is to establish general characteristics of glass\nformation, to identify new relations, and to discern which properties\nof glass-forming liquids are material-specific and which are “universal.”\nTo this end, we analyze a number of characteristic properties of glass\nformation, such as the structural relaxation time, self-diffusion\ncoefficient, viscosity, characteristic temperatures, and fragility.\nWe also consider a suite of properties presumably related to dynamic\nheterogeneity in an attempt to better understand its relation to structural\nrelaxation. We demonstrate that the glassy dynamics in the Kob–Andersen\nmodel exhibit many of the essential trends observed in polymeric glass-forming\nliquids, pointing to a remarkable “universality” of\nmany aspects of glass formation.

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Material Dynamics and Properties
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