Journal
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT
Volume 2021, Issue 4, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/1742-5468/abee23
Keywords
glasses (structural); mode coupling theory; slow relaxation; glassy dynamics; aging; structural correlations
Categories
Funding
- Austrian Science Fund (FWF) [I 2887]
- Lise-Meitner fellowship of the Austrian Science Fund (FWF) [M 2471]
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In this study, the motion of tagged particles in a strongly interacting quasi-confined liquid was investigated using periodic boundary conditions. The calculations were based on mode-coupling theory of the glass transition and comparisons were made with event-driven molecular dynamics simulations. The results showed non-monotonic behavior in the in-plane mean-square displacement and correlations related to perpendicular motion.
We investigate the tagged-particle motion in a strongly interacting quasi-confined liquid using periodic boundary conditions along the confining direction. Within a mode-coupling theory of the glass transition we calculate the self-nonergodicity parameters and the self-intermediate scattering function and compare them with event-driven molecular dynamics simulations. We observe non-monotonic behavior for the in-plane mean-square displacement and further correlation functions which refer to higher mode indices encoding information about the perpendicular motion. The in-plane velocity-autocorrelation function reveals persistent anti-correlations with a negative algebraic power-law decay t(-2) at all packing fractions.
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