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

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Abstract Book of the XXIII IUPAP International Conference on Statistical Physics, Genova, Italy, (9-13 July 2007)

Аннотация

We introduce a simple two-dimensional monatomic model system with a double-well interaction potential. Using molecular dynamics simulations we determine the phase diagram of the system which is remarkably rich. In total 13 different phases have been found, therein five complex crystals with unit cells larger than the interaction radius, a decagonal and a dodecagonal random tiling quasicrystal. When growing the complex (quasi-)crystals from the liquid, an intermediate glassy state is quickly formed. In longer simulations a continuous amelioration of the structure by diffusion processes is observed. This is accomplished by discrete particle jumps called phason flips. 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 Brujin surface in hyperspace. As far as we know, no systematic work on this or any similar system has yet been reported in the literature.

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