Coarse Grained Modeling & Control of Colloidal Assembly

粗粒度建模

• 批准号: 1928950
• 负责人: Michael Bevan
• 金额: $ 30万
• 依托单位: Johns Hopkins University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-09-01 至 2023-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1928950&HistoricalAwards=false
• 关键词: Coarse; Grained; Modeling; & Control

The goal of the proposed project is to develop computational models of ensembles of differently shaped colloidal particles as a means to control their assembly into ordered microstructures with few defects. The proposed research may enable metamaterial applications involving micro-structured colloidal-based materials for manipulation of electromagnetic radiation. Example materials include novel reflectors, gratings, polarizers, waveguides, etc. as part of sensors, solar cells, antennas, optical computers, and cloaking devices, which all require periodic structures of different shaped particles with low defect densities. The focus of the research project will be on modeling and control of ellipsoidal and super-ellipsoidal particles to enable a rich set of microstructures. Novel methods for controlling interactions using directional and time varying inputs will be developed to enable precise control of colloidal particle assembly processes.Understanding the thermodynamics and kinetics in colloidal systems is challenging and applying feedback control adds an additional layer to engineering complex responses in such systems. The goal of the proposed research is to develop minimal physically-meaningful models of stochastic dynamics to design model-based feedback control policies for the assembly of ellipsoidal and super-ellipsoidal particles. The objective is to significantly adapt and extend prior approaches to systematically define coarse grained system coordinates that capture structural features while eliminating system symmetries. The feedback control policies will be tested experimentally with tunable kT-scale interactions to design dynamic reversible assembly of different shaped particles into ordered metamaterials. The fundamental understanding of design rules and control parameters for colloidal assembly will provide new general insights beyond what is known from trial-and-error discovery. The project will train students by integrating broad topics in colloid science, fluid dynamics, materials chemistry, advanced metrology/microfabrication, and control. Broadening participation of underrepresented groups in STEM fields will be pursued through weekly mentoring activities at a local elementary after-school program focused on engineering design.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

拟议项目的目标是开发不同形状的胶体颗粒的集合的计算模型，作为控制它们组装成具有很少缺陷的有序微结构的一种手段。拟议的研究可能使超材料的应用，涉及微结构的胶体基材料的电磁辐射的操纵。示例材料包括作为传感器、太阳能电池、天线、光学计算机和隐身设备的一部分的新型反射器、光栅、偏振器、波导等，这些都需要具有低缺陷密度的不同形状颗粒的周期性结构。该研究项目的重点将是对椭球和超椭球粒子的建模和控制，以实现丰富的微观结构。将开发使用方向和时变输入控制相互作用的新方法，以精确控制胶体粒子组装过程。了解胶体系统中的热力学和动力学是具有挑战性的，应用反馈控制为此类系统中的工程复杂响应增加了额外的一层。 建议的研究的目标是开发最小的物理意义的随机动力学模型，设计基于模型的反馈控制策略的集合的椭球和超椭球粒子。我们的目标是显着适应和扩展以前的方法，系统地定义粗粒度的系统坐标，捕捉结构特征，同时消除系统的对称性。反馈控制策略将通过可调的kT尺度相互作用进行实验测试，以设计不同形状粒子的动态可逆组装成有序的超材料。对胶体组装的设计规则和控制参数的基本理解将提供超越试错发现的新的一般见解。该项目将通过整合胶体科学，流体动力学，材料化学，先进计量/微制造和控制的广泛主题来培训学生。通过在当地一个以工程设计为重点的小学课后项目中开展每周一次的辅导活动，扩大代表性不足的群体在STEM领域的参与。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Learning effective SDEs from Brownian dynamic simulations of colloidal particles

从胶体粒子的布朗动态模拟中学习有效的 SDE

• DOI: 10.1039/d2me00086e
• 发表时间: 2023
• 期刊: Molecular Systems Design & Engineering
• 影响因子: 3.6
• 作者: Evangelou, Nikolaos;Dietrich, Felix;Bello-Rivas, Juan M.;Yeh, Alex J.;Hendley, Rachel S.;Bevan, Michael A.;Kevrekidis, Ioannis G.
• 通讯作者: Kevrekidis, Ioannis G.

Multistate Dynamic Pathways for Anisotropic Colloidal Assembly and Reconfiguration

• DOI: 10.1021/acsnano.3c07202
• 发表时间: 2023-10-03
• 期刊: ACS NANO
• 影响因子: 17.1
• 作者: Hendley, Rachel S.;Zhang, Lechuan;Bevan, Michael A.
• 通讯作者: Bevan, Michael A.

Hard superellipse phases: particle shape anisotropy & curvature

硬超椭圆相：颗粒形状各向异性

• DOI: 10.1039/d1sm01523k
• 发表时间: 2022
• 期刊: Soft Matter
• 影响因子: 3.4
• 作者: Torres-Díaz, Isaac;Hendley, Rachel S.;Mishra, Akhilesh;Yeh, Alex J.;Bevan, Michael A.
• 通讯作者: Bevan, Michael A.