2024
DOI: 10.1021/acs.jpcb.4c04806
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Understanding Relaxation in the Kob-Andersen Liquid Based on Entropy, String, Shoving, Localization, and Parabolic Models

Qi-Lu Yuan,
Xiaolei Xu,
Jack F. Douglas
et al.

Abstract: We assess the validity of a range of models of glass formation based on molecular dynamics simulation results of the Kob-Andersen (KA) model system under a wide range of constant volume and constant pressure conditions. These models include the Adam−Gibbs model emphasizing configurational entropy, the string model emphasizing collective particle exchange motion, the shoving model emphasizing material elasticity, the localization model emphasizing dynamical free volume, and parabolic models based on the ideas o… Show more

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