Self-assembly of monatomic complex crystals and quasicrystals with a double-well interaction potential.
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.
Institut für Theoretische und Angewandte Physik, Universität Stuttgart, Pfaffenwaldring 57, 70550 Stuttgart, Germany. mengel@itap.uni-stuttgart.de
Michael
M
Engel
Hans-Rainer
HR
Trebin