Articles you may be interested inMelting of α-Al2O3 and vitrification of the undercooled alumina liquid: Ab initio vibrational calculations and their thermodynamic implications J. Chem. Phys. 138, 064507 (2013); 10.1063/1.4790612 Microscopic structure and thermodynamics of a core-softened model fluid: Insights from grand canonical Monte Carlo simulations and integral equations theoryAtomic-force pictures reveal a heterogeneous microstructure at the surface of glassy layers which should be similar to one of the many equivalent microstructures a liquid is running through. These microstructures are described with the aid of a kinetic model of reversible aggregation which goes back to formulations as used in the description of living polymerization or aggregation of polymers in solution. Aggregates are considered as dynamic subsystems wherein collective modes of motions are excited. Fluctuations of the aggregates, densely packed in a disordered pattern, leads to a broad size distribution which happens to be controlled by Boltzmann's factor. The disordered structure within the aggregates themselves is optimized, reduced aggregate energy and entropy should be equal. Symmetries are deduced which elucidate many universal properties of the dynamic microstructure of liquids. Thermodynamic properties like the specific heats of aggregation in liquids or the dependence of the glass transition of homologues of linear atactic polystyrene are consistently described.

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