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  • Title: Crystallization on prestructured seeds.
    Author: Jungblut S, Dellago C.
    Journal: Phys Rev E Stat Nonlin Soft Matter Phys; 2013 Jan; 87(1):012305. PubMed ID: 23410329.
    Abstract:
    The crystallization transition of an undercooled monodisperse Lennard-Jones fluid in the presence of small prestructured seeds is studied with transition path sampling combined with molecular dynamics simulations. Compared to the homogeneous crystallization, clusters of a few particles arranged into a face- and body-centered cubic structure enhance the crystallization, while icosahedrally ordered seeds do not change the reaction rate. We identify two distinct nucleation regimes-close to the seed and in the bulk. Crystallites form close to the face- and body-centered structures and tend to stay away from the icosahedrally ordered seeds.
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