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arXiv · 0705.0213

Self-Assembly of Monatomic Complex Crystals and Quasicrystals with a Double-Well Interaction Potential

Michael Engel·Hans-Rainer Trebin
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Abstract

For the study of crystal formation and dynamics we introduce a simple two-dimensional monatomic model system with a parametrized interaction potential. We find in molecular dynamics simulations that a surprising variety of crystals, a decagonal and a dodecagonal quasicrystal are self-assembled. In the case of the quasicrystals the particles reorder by phason flips at elevated temperatures. During annealing the entropically stabilized decagonal quasicrystal undergoes a reversible phase transition at 65% of the melting temperature into an approximant, which is monitored by the rotation of the de Bruijn surface in hyperspace.

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Michael Engel, Hans-Rainer Trebin. 2007-05-02. Self-Assembly of Monatomic Complex Crystals and Quasicrystals with a Double-Well Interaction Potential. https://doi.org/10.1103/physrevlett.98.225505

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