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Three-state structural heterogeneity in a model two dimensional liquid



Jack F. Douglas, Tamoghna Das


Three structural populations with distinct average mobility are identi ed within an equilibrium two-dimensional Lennard-Jones uid simulated via molecular dynamics at a constant temperature and varying density. Quantifying the structure of the immediate neighborhood of particles by a tessellation allows us to identify three distinct structural states by the shapes of the tessellation cells. Irrespective of dynamic particle exchange among these populations, each is observed to maintain their own thermodynamic and average dynamic properties across the liquid-solid transition. We expect these findings to be valuable for better understanding the structural basis of dynamical heterogeneity in complex liquids defined in terms of local mobility fluctuations.
Journal of Molecular Liquids


Douglas, J. and Das, T. (2019), Three-state structural heterogeneity in a model two dimensional liquid, Journal of Molecular Liquids (Accessed April 22, 2024)
Created August 3, 2019, Updated April 24, 2020