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.
Engel
Michael
M
Institut für Theoretische und Angewandte Physik, Universität Stuttgart, Pfaffenwaldring 57, 70550 Stuttgart, Germany. mengel@itap.uni-stuttgart.de
Trebin
Hans-Rainer
HR