Motif Reconstruction in Clusters and Layers: Benchmarks for the Kawska-Zahn Approach to Model Crystal Formation
Milek T, Duchstein P, Seifert G, Zahn D (2010)
Publication Type: Journal article
Publication year: 2010
Journal
Book Volume: 11
Pages Range: 847-852
Journal Issue: 4
Abstract
A recently developed atomistic simulation scheme for investigating ion aggregation from solution is transferred to the morphogenesis of metal clusters grown from the vapor and layers deposited on a substrate surface. Both systems are chosen as benchmark models for intense motif reorganization during aggregate/layer growth. The applied simulation method does not necessarily involve global energy minimization after each growth event, but instead describes crystal growth as a series of structurally related configurations which may also include local energy minima. Apart from the particularly favorable high-symmetry configurations known from experiments and global energy minimization, we also demonstrate the investigation of transient structures. In the spirit of Ostwald's step rule, a continuous evolution of the aggregate/layer structure during crystal growth is observed.
Authors with CRIS profile
Additional Organisation(s)
Involved external institutions
Technische Universität Dresden
Germany (DE)
Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids
Germany (DE)
Germany (DE)
Max-Planck-Institut für Chemische Physik fester Stoffe (MPI CPfS) / Max Planck Institute for Chemical Physics of Solids
Germany (DE)
How to cite
APA:
Milek, T., Duchstein, P., Seifert, G., & Zahn, D. (2010). Motif Reconstruction in Clusters and Layers: Benchmarks for the Kawska-Zahn Approach to Model Crystal Formation. ChemPhysChem, 11(4), 847-852. https://dx.doi.org/10.1002/cphc.200900907
MLA:
Milek, Theodor, et al. "Motif Reconstruction in Clusters and Layers: Benchmarks for the Kawska-Zahn Approach to Model Crystal Formation." ChemPhysChem 11.4 (2010): 847-852.
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