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Effect of patchy particle designs on the bulk properties of the self-assembled structures

斑块颗粒设计对自组装结构整体性能的影响

基本信息

批准号：
20K14437
负责人：
Lieu Uyen
金额：
$ 1.5万
依托单位：
Tohoku University (2021-2022)National Institute of Advanced Industrial Science and Technology (2020)
依托单位国家：
日本
项目类别：
Grant-in-Aid for Early-Career Scientists
财政年份：
2020
资助国家：
日本
起止时间：
2020-04-01 至 2024-03-31
项目状态：
已结题

项目摘要

We investigate the formation and fluctuation of a two-dimensional dodecagonal quasicrystal (DDQC) by patchy particles.The self-assembly of two-dimensional dodecagonal quasicrystals (DDQCs) from patchy particles is investigated by Brownian dynamics simulations. The patchy particle has a five-fold rotational symmetry pattern described by the spherical harmonics Y55. From the formation of the DDQC obtained by an annealing process, we find the following mechanism. The early stage of the dynamics is dominated by hexagonal structures. Then, nucleation of dodecagonal motifs appears by particle rearrangement, and finally the motifs span the whole system. The transition from the hexagonal structure into the dodecagonal motif is coincident with the collective motion of the particles. The DDQC consists of clusters of dodecagonal motifs, which can be classified into several packing structures. By the analyses of the DDQC under fixed temperature, we find that the fluctuations are characterised by changes in the network of the dodecagonal motifs. Finally we compare the DDQCs assembled from the patchy particle system and isotropic particle system. The two systems share a similar mechanism of the formation and fluctuation of DDQCs.By this result, we have better understanding on the mechanism, the growth of quasicrystal.

我们研究了片状粒子形成和涨落的二维十二方准晶体(DDQC)，并用布朗动力学模拟研究了由片状粒子自组装的二维十二方准晶体(DDQC)。这种片状粒子具有由球谐函数Y55描述的五重旋转对称图案。从由退火法获得的DDQC的形成过程中，我们发现以下机制。动力学的早期阶段以六角结构为主。然后，十二方模体通过粒子重排成核，最终模体横跨整个体系。从六方结构到十二方结构的转变与粒子的集体运动相一致。DDQC由十二角基序组成，可分为几种堆积结构。通过对恒温下的DDQC的分析，我们发现其起伏的特征是十二方基元网络的变化。最后，我们比较了由片状粒子系统和各向同性粒子系统组装的DDQC。这两个体系在DDQC的形成和起伏方面有着相似的机制，通过这一结果，我们对准晶的生长机制有了更好的理解。