Effect of patchy particle designs on the bulk properties of the self-assembled structures
| Project/Area Number |
20K14437
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| Research Category |
Grant-in-Aid for Early-Career Scientists
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| Allocation Type | Multi-year Fund |
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| Review Section |
Basic Section 13040:Biophysics, chemical physics and soft matter physics-related
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| Research Institution | Tohoku University (2021-2022)
National Institute of Advanced Industrial Science and Technology (2020) |
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Principal Investigator |
Lieu Uyen 東北大学, 材料科学高等研究所, 助教(研究特任) (00807042)
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| Project Period (FY) |
2020-04-01 – 2024-03-31
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| Project Status |
Granted (Fiscal Year 2022)
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| Budget Amount *help |
¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
Fiscal Year 2021: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2020: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
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| Keywords | self-assembly / patchy particles / dodecagonal quasicrystal / self-assemble / inverse design / optimisation / patchy particle / kagome lattice / curvature / topological defects |
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| Outline of Research at the Start |
Patchy particles are of micrometre size and have patches on the surface. Such particles can assemble into complex structures with novel properties. In this research, we perform numerical simulation to investigate the relation of patchy particle design, assembled structures and properties.
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| Outline of Annual Research Achievements |
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.
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| Current Status of Research Progress |
Current Status of Research Progress
2: Research has progressed on the whole more than it was originally planned.
Reason
Due to COVID-19, in-person workshop and conferences were not possible, and it was hard to discuss with researchers. The procedures for submitting paper to journal were also slow. Despite the difficulties, we published one paper, joined virtual conferences and presented our work.
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| Strategy for Future Research Activity |
Patchy particles are the particles with anisotropic surface patterns or patches on specific positions on the surface. The interaction of such particles is not only dependent on the distance, but also on their mutual orientations. Therefore, the patchy particles are capable of organizing themselves into complex structures, which are important for the generation of novel materials.
One of the complex structures is quasicrystal. Quasicrystal are ordered structures lacking periodic translational symmetry. Quasicrystals may
have 5-, 10-, 12-fold rotational symmetry while crystals possess 2-, 3-, 4-, and 6-fold rotational symmetry. The quasicrystal is interesting in both theoretical and application aspects. The quasicrystal can be applied in various application such as advanced coatings, reinforced composites, magnetism. We assemble a two-dimensional dodecagonal quasicrystal from the patchy particle of fivefold symmetry by Brownian dynamics simulation. However, it is still difficult to identify the best parameters for assembling the quasicrystal structure. This kind of problem also occurs for other assembled structure.
We will apply inverse design and reinforcement learning to search for the best parameters under which a specific structure can be created. We also expect that be controlling the external driving force, the functions or properties can be control as well.
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Report
(3 results)
Research Products
(10 results)
