Journal
PHYSICAL REVIEW E
Volume 87, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.87.012305
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- Austrian Science Fund (FWF) within the SFB ViCoM [F41]
- [P 24681-N20]
- Austrian Science Fund (FWF) [P 24681] Funding Source: researchfish
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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. DOI: 10.1103/PhysRevE.87.012305
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