Fig. 4 | Nature Communications

Fig. 4

From: Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation

Fig. 4The alternative text for this image may have been generated using AI.

Schematic illustration of the connection between free energy profiles, precritical fluctuations, and polymorph. a, b Resulting het. free energy profiles for two different polymorphs, which belong to the same functional family as their hom. reference. The extent of thermal fluctuations is indicated by the gray-shaded area. c Observation in a simulation or experiment where the hom. nucleation of the dominant polymorph 1 is compared to het. nucleation events that form the same (het,1) and a different (het,2) polymorph. While for the het,1 profile the critical nucleus and the barrier are scaled by a same factor (as predicted by hetCNT), these are scaled differently for the het,2 profile when compared to hom,1. Note that the graphs are qualitatively equivalent to our simulation results, but do not result from a fit or parametrized model

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