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Soft-core particles freezing to form a quasicrystal and a crystal-liquid phase

机译:软核颗粒冻结形成准晶和晶体 - 液相

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摘要

Systems of soft-core particles interacting via a two-scale potential are studied. The potential is responsible for peaks in the structure factor of the liquid state at two different but comparable length scales and a similar bimodal structure is evident in the dispersion relation. Dynamical density functional theory in two dimensions is used to identify two unusual states of this system: a crystal-liquid state, in which the majority of the particles are located on lattice sites but a minority remains free and so behaves like a liquid, and a 12-fold quasicrystalline state. Both are present even for deeply quenched liquids and are found in a regime in which the liquid is unstable with respect to modulations on the smaller scale only. As a result, the system initially evolves towards a small-scale crystal state; this state is not a minimum of the free energy, however, and so the system subsequently attempts to reorganize to generate the lower-energy larger-scale crystals. This dynamical process generates a disordered state with quasicrystalline domains and takes place even when this large scale is linearly stable, i.e., it is a nonlinear process. With controlled initial conditions, a perfect quasicrystal can form. The results are corroborated using Brownian dynamics simulations.
机译:研究了通过两级电势相互作用的软核粒子系统。在两个不同但可比较的长度尺度下,电位是导致液态结构因子峰值的原因,并且在分散关系中明显存在类似的双峰结构。二维的动态密度泛函理论用于确定该系统的两个不寻常状态:晶态-液态,其中大多数粒子位于晶格位置,而少数保持自由状态,因此其行为类似于液体; 12倍准晶态。两者甚至对于深度淬灭的液体都存在,并且在这样的状态下发现:液体仅对于较小规模的调制不稳定。结果,系统开始发展为小规模的晶体状态。这种状态不是自由能的最小值,因此系统随后尝试重组以生成能量较低的大型晶体。该动力学过程产生具有准晶畴的无序状态,并且即使当这种大规模线性稳定时也发生,即它是非线性过程。在受控的初始条件下,可以形成理想的准晶体。使用布朗动力学仿真证实了该结果。

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