Molecular simulation of bundle-like crystal nucleation from n-eicosane melts.


Homogeneous nucleation of n-eicosane crystals from the supercooled melt was studied by molecular simulation using a realistic, united-atom model for n-alkanes. Using molecular dynamics simulation, we observed nucleation events directly at constant pressure and temperature, corresponding to about 19% supercooling. Under these conditions, the induction time… (More)
DOI: 10.1063/1.3608056


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