Density Scaling of Translational and Rotational Molecular Dynamics in a Simple Ellipsoidal Model near the Glass Transition

Density Scaling of Translational and Rotational Molecular Dynamics in a Simple Ellipsoidal Model near the Glass Transition

In this paper, we show that a simple anisotropic model of supercooled liquid properly reflects some density scaling properties observed for experimental data, contrary to many previous results obtained from isotropic models. We employ a well-known Gay–Berne model earlier parametrized to achieve a su...

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Bibliographic Details
Main Authors: Karol Liszka, Andrzej Grzybowski, Kajetan Koperwas, Marian Paluch
Format: Article
Language:English
Published: MDPI AG 2022-04-01
Series:International Journal of Molecular Sciences
Subjects:
density scaling
molecular anisotropy
glass transition
supercooled liquids
Gay–Berne model
molecular dynamics simulations
Online Access:https://www.mdpi.com/1422-0067/23/9/4546

Internet

https://www.mdpi.com/1422-0067/23/9/4546

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