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.

拟议项目的目的是开发不同形状的胶体颗粒的集合的计算模型，以此作为将其组装控制成有序的微观结构的手段，几乎没有缺陷。拟议的研究可以实现涉及微结构胶体材料的超材料应用，以操纵电磁辐射。示例材料包括新型反射器，光栅，极化器，波导等。作为传感器，太阳能电池，天线，光学计算机和披风设备的一部分，它们都需要具有低缺陷密度的不同形状颗粒的周期性结构。研究项目的重点将放在椭圆形和超层状颗粒的建模和控制上，以实现丰富的微观结构。使用方向性和时间变化的输入来控制相互作用的新方法将开发出对胶体粒子组装过程的精确控制。理解胶体系统中的热力学和动力学的理解是具有挑战性的，并且应用反馈控制为此类系统中的工程复杂响应增加了一层。 拟议的研究的目的是开发最小的随机动力学模型，以设计基于模型的反馈控制策略，以组装椭圆形和超颗粒粒子。目的是显着适应和扩展先前的方法，以系统地定义捕获结构特征的粗粒系统坐标，同时消除系统对称性。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，以将不同形状颗粒的动态可逆组装设计为有序的超材料。对胶体组装的设计规则和控制参数的基本理解将提供超出试验和错误发现已知的新一般见解。该项目将通过整合胶体科学，流体动力学，材料化学，高级计量/微加工和控制方面的广泛主题来培训学生。将通过每周的指导活动在当地的小学后课程计划中进行拓宽STEM领域的参与，该计划旨在反映NSF的法定任务，并被认为是通过基金会的知识分子优点和更广泛的审查标准通过评估来进行评估的。

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.