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We use the isoconfigurational (IC) ensemble to show the connection betweenemerging heterogeneities in the tetrahedral order parameter and the dynamicpropensity in a mildly undercooled glass-forming liquid. We observe thatspatially correlated tetrahedrally-(dis)ordered clusters of molecules areobservable on the time scale of structural relaxation. The heterogeneities oftetrahedrally-(dis)ordered clusters correlate with dynamical heterogeneities(DH) and these correlations reach peaks at similar time scales. We discoverthat the angular component of the tetrahedral order parameter is stronglycorrelated to the dynamics compared to the radial component. Moreover, thesecorrelations between the dynamics and tetrahedrally-(dis)ordered regionsenormously influence the system, with spatial correlations being observable fora prolonged period beyond the peaks of maximum DH. Further, we discover thatthe crystalline particle environments in our water model (as identified by theIC ensemble) may be the origin for slow dynamics of dynamical heterogeneity inour undercooled model water system.

physica a statistical mechanics and its applications

Structural (dis)order and dynamic propensity in a mildly undercooled  glass-forming liquid: Spatial correlations and the role of crystalline  environments