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

Michael Engel and Hans-Rainer Trebin
Phys. Rev. Lett. 98, 225505 – Published 1 June 2007

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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  • Received 20 February 2007

DOI:https://doi.org/10.1103/PhysRevLett.98.225505

©2007 American Physical Society

Authors & Affiliations

Michael Engel* and Hans-Rainer Trebin

  • Institut für Theoretische und Angewandte Physik, Universität Stuttgart, Pfaffenwaldring 57, 70550 Stuttgart, Germany

  • *Electronic address: mengel@itap.uni-stuttgart.de

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Issue

Vol. 98, Iss. 22 — 1 June 2007

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