设计最小朗道理论以稳定所需的准晶体

Wei Si, Shifeng Li, Pingwen Zhang, An-Chang Shi, Kai Jiang
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摘要

具有多种长度尺度的粒子间相互作用对准晶体的形成和稳定性起着关键作用。选择一组最小的长度尺度来稳定给定的准晶体是一个具有挑战性的问题。为了解决这个难题,我们提出了一种智能筛选方法(ISM),以设计一种具有最少长度尺度的朗道理论--我们称之为最小朗道理论--它只包括稳定准晶体所必需的基本长度尺度。基于广义多长度尺度朗道理论,ISM 首先在硬约束条件下评估候选结构的各种光谱配置。然后确定自由能最低的配置。利用这种最佳配置,ISM 可以计算相图,探索所需准晶的热力学稳定性。ISM 可以通过逐步增加长度尺度的数量,设计出能够稳定所需准晶的最小朗道理论。我们对 ISM 的应用不仅证实了 10 倍和 12 倍类晶体的已知行为,而且还得出了一个重要的预测,即 8 倍、14 倍、16 倍和 18 倍对称的类晶体在三长度尺度的朗道模型中是最合适的。
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Designing a minimal Landau theory to stabilize desired quasicrystals
Interparticle interactions with multiple length scales play a pivotal role in the formation and stability of quasicrystals. Choosing a minimal set of length scales to stabilize a given quasicrystal is a challenging problem. To address this challenge, we propose an intelligent screening method (ISM) to design a Landau theory with a minimal number of length scales -- referred to as the minimal Landau theory -- that includes only the essential length scales necessary to stabilize quasicrystals. Based on a generalized multiple-length-scale Landau theory, ISM first evaluates various spectral configurations of candidate structures under a hard constraint. It then identifies the configuration with the lowest free energy. Using this optimal configuration, ISM calculates phase diagrams to explore the thermodynamic stability of desired quasicrystals. ISM can design a minimal Landau theory capable of stabilizing the desired quasicrystals by incrementally increasing the number of length scales. Our application of ISM has not only confirmed known behaviors in 10- and 12-fold quasicrystals but also led to a significant prediction that quasicrystals with 8-, 14-, 16-, and 18-fold symmetry could be stable within three-length-scale Landau models.
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