Cluster-Based Solidification and Growth Algorithm for Decagonal Quasicrystals

Physical Review Letters
P Kuczera, Walter Steurer

Abstract

A novel approach is used for the simulation of decagonal quasicrystal (DQC) solidification and growth. It is based on the observation that in well-ordered DQCs the atoms are largely arranged along quasiperiodically spaced planes parallel to the tenfold axis, running throughout the whole structure in five different directions. The structures themselves can be described as quasiperiodic arrangements of decagonal columnar clusters (cluster covering) that partially overlap in a systematic way. Based on these findings, we define a cluster interaction model within the mean field approximation, with effectively asymmetric interactions ranging beyond the nearest neighbors. In our Monte Carlo simulations, this leads to a long-range ordered quasiperiodic ground state. Indications of two finite-temperature unlocking phase transitions are observed, and are related to the two fundamental length scales that are characteristic for the system.

References

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Nov 21, 2012·Acta Crystallographica. Section B, Structural Science·Pawel KuczeraWalter Steurer
Feb 2, 2013·Physical Review Letters·Alexander KiselevHans-Rainer Trebin

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Citations

Feb 25, 2018·Nature Communications·Zhiqing YangStephen J Pennycook
Dec 23, 2017·Acta Crystallographica. Section A, Foundations and Advances·Walter Steurer
Dec 14, 2017·Scientific Reports·Insung HanAshwin J Shahani
Dec 14, 2017·Nature Communications·Mengjie ZuNing Xu
Jan 6, 2021·Acta Crystallographica. Section A, Foundations and Advances·Walter Steurer
Dec 6, 2020·Nature Communications·Haikun MaWalter Steurer

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