Heterogeneous crystallization on tiny clusters
- Author(s)
- Swetlana Jungblut, Christoph Dellago
- Abstract
The crystallization transition of an undercooled monodisperse Lennard-Jones fluid in the presence of small pre-structured seeds is studied with transition interface path sampling combined with molecular dynamics simulations. Compared to the homogeneous crystallization, clusters of 13 particles arranged into a face-centered cubic structure enhance the crystallization rate by one order of magnitude, while icosahedrally ordered seeds do not change the reaction rate at all. We identify two distinct nucleation regimes -close to the seed and in the bulk. Crystallites formed close to the seed attach to it, if it has face-centered cubic structure, and grow around the seed, if its structure is icosahedral.
- Organisation(s)
- Computational and Soft Matter Physics
- Journal
- Europhysics Letters
- Volume
- 96
- No. of pages
- 6
- ISSN
- 0295-5075
- DOI
- https://doi.org/10.1209/0295-5075/96/56006
- Publication date
- 2011
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/heterogeneous-crystallization-on-tiny-clusters(bb01f11f-2973-4705-a3f5-e4b746388918).html