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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 51: Poster Session III-2
CPP 51.7: Poster
Dienstag, 17. März 2020, 14:00–16:00, P2/EG
How coupled elementary units determine heterogeneity in macroscopic glass-forming systems — •Lawrence Smith and Andreas Heuer — Westwälische Wilhelms-Universität, Münster, Germany
Elementary units of a binary Lennard-Jones glassformer can be identified through quantitative analysis of its underlying potential energy landscape. These units can be fully understood within the continuous time random walk formalism and are found to contain the complete information concerning thermodynamics and diffusivity, while displaying finite size effects with respect to relaxation times and spacial correlations [1]. Previous research has shown that it is possible to identify major contributions to the structural relaxation time τα and the non-Gaussian parameter as arising from the moments of the waitingtime distribution for jumps between metabasins of the potential energy landscape [2].
We investigate the impact of a coupling between elementary units on the non-Gaussian parameter (NGP) and τα to establish a relationship between this coupling and finite size effects that can be observed in molecular dynamic simulations. We extend this idea to gain insight into mechanisms underlying the emergence of dynamic heterogeneity as measured by four-point correlation functions in the stochastic model as well as in molecular dynamics simulations.
[1] C. Rehwald, A. Heuer, Phys. Rev. E 86, 051504 (2012)
[2] C. Schroer, A. Heuer, Phys. Rev. Lett. 110, 067801 (2013)