(Color) Representative solvent-solvent (LJ-LJ), side-by-side solute-solute (GB-GB), and lateral heterogeneous (GB-LJ) pair interaction curves for the solute-solvent coupling parameters considered in this work. The LJ-LJ and GB-LJ with curves are superimposed.
(Color) Sequence of snapshots showing the dynamics of aggregation for the system at , , and . To help in the visualization, the LJ solvent particles are rendered at 20% of their actual size.
(Color) Snapshot of an system after time units showing how the solute aggregates into several distinct nanodroplets. The system has been simulated starting from an equilibrated and uniform solution with at , , and . To help in the visualization, the LJ solvent particles are rendered at 20% of their actual size.
(Color online) Time evolution of the ratio between the weighted average numbers of core and interface droplet particles at for the , 0.04, and 0.08 systems.
(Color online) Time evolution of the weighted average diagonal inertia tensor anisotropy .
(Color) Example of droplet fluctuations in shape. The three snapshots are relative to the , system at different MD simulation times. (See Fig. 2 for additional details.)
(Color online) Solute-solvent radial cross-correlation function for the systems with solute mole fraction .
(Color online) Comparison of solute-solute radial autocorrelation functions for the mixtures at same temperature and solute mole fractions , 0.04, 0.03, 0.02, and 0.01.
(Color online) Relative average droplet density as a function of distance from the droplet center of mass at for systems with various concentrations.
(Color online) Initial evolution of the instantaneous weighted droplet order parameter for a mixture of particles with mole fraction at and coupling parameters , , and .
(Color online) Evolution of the instantaneous weighted droplet order parameter for a mixture of particles with mole fraction , coupling parameter , at and , 2.4, and 2.6. The vertical line at gives the initial time of the averaging process, while the horizontal lines correspond to the average obtained for .
(Color online) Temperature dependence of the average droplet orientational order parameter after nanodroplet formation and stabilization for the systems with solute mole fractions , 0.04, and 0.08 and coupling parameter . At the LJ solvent freezes.
(Color online) Solute concentration dependence of the average droplet orientational order parameter computed with respect to the single aggregates for the , 0.040, 0.035, 0.030, 0.025, 0.020, and 0.015 systems at . For the sample the solute does not aggregate.
(Color) Phase structures observed for the GB nanodroplets in mixtures with solute mole fractions , 0.04, and 0.02 in the temperature range studied. The labeling used to identify the structures is solvent (crystal/glass), drop(s), drop(s), drop(s), and mixture.
Cumulative results for the MD simulation of nanodroplet aggregation in GB-LJ mixtures with mole fractions , 0.04, and 0.08, and solute-solvent interaction parameter , pressure , and sample size . The labeling used to identify the structures is solvent (crystal/glass), drop(s), drop(s), drop(s), and mixture, and (a) for samples showing two or more ordered aggregates with different director orientations, and (c) for a channel-like aggregate crossing the whole MD sample (a periodic boundary condition artifact).
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