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

• 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
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-20K14437/
• 关键词: self-assembly; patchy particles; dodecagonal quasicrystal; self-assemble; inverse design; optimisation; patchy particle; kagome lattice; curvature; topological defects

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.

我们研究了斑片颗粒二维十二边形准晶体（DDQC）的形成和涨落。通过布朗动力学模拟研究了斑片颗粒二维十二边形准晶体（DDQC）的自组装。斑片粒子具有由球谐函数 Y55 描述的五重旋转对称图案。从通过退火工艺获得的DDQC的形成中，我们发现了以下机制。动力学的早期阶段以六边形结构为主。然后，通过粒子重排出现十二边形图案的成核，最后图案跨越整个系统。从六边形结构到十二边形图案的转变与粒子的集体运动一致。 DDQC 由十二边形图案簇组成，可分为多种堆积结构。通过对固定温度下DDQC的分析，我们发现波动的特征是十二边形图案网络的变化。最后我们比较了由斑块粒子系统和各向同性粒子系统组装的 DDQC。这两个系统具有相似的DDQCs形成和波动机制。通过这个结果，我们对准晶的生长机制有了更好的了解。

项目成果

Topological defects of patchy particles on a spherical surface

球面上斑状颗粒的拓扑缺陷

• 发表时间: 2021
• 作者: Uyen Lieu

Inverse Design of Two-dimensional Self-assembly of Patchy Particles

片状颗粒二维自组装逆设计

• 发表时间: 2021
• 作者: Uyen Lieu

Self-assembly of two-dimensional binary quasicrystals: a possible route to a DNA quasicrystal

二维二元准晶体的自组装：DNA准晶体的可能途径

• DOI: 10.1088/0953-8984/29/1/014006
• 发表时间: 2016-07-22
• 期刊: Journal of Physics: Condensed Matter
• 作者: A. Reinhardt;J. Schreck;F. Romano;J. Doye
• 通讯作者: J. Doye

Inverse design of two-dimensional structure by self-assembly of patchy particles

斑块颗粒自组装二维结构逆向设计

• DOI: 10.1063/5.0072234
• 发表时间: 2022
• 作者: Uyen Tu Lieu;Natsuhiko Yoshinaga
• 通讯作者: Natsuhiko Yoshinaga

Inverse Design of Two-dimensional Self-assembly of Patchy Particles

片状颗粒二维自组装逆设计

• 发表时间: 2021
• 作者: Uyen Lieu