A Unified Framework for Description of Lyotropic and Active Liquid Crystals Far from Equilibrium
描述远离平衡态的溶致液晶和活性液晶的统一框架
基本信息
- 批准号:1710318
- 负责人:
- 金额:$ 36.11万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:2017
- 资助国家:美国
- 起止时间:2017-09-01 至 2020-08-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
NONTECHNICAL SUMMARYThis award supports theoretical and computational research and education to advance the fundamental understanding of liquid crystals (LCs). Liquid crystalline materials combine some of the properties of liquids, such as the ability to flow, and some of the properties of solids, such as a highly ordered molecular structure, elasticity, and controllable optical characteristics. They are found in a wide array of devices, ranging from simple thermometers to state-of-the-art display technologies. Most applications of LCs to date have relied on thermotropic materials, whose structure and appearance changes with temperature. Less is known about lyotropic LCs, which are abundant in nature, and whose behavior can be tuned through their concentration in a solution, as opposed to temperature.Lyotropic materials are central to biology and life. They are water soluble, and they provide, for example, the scaffolds that allow cells to maintain their shape, move, and multiply. They are also responsible for the color changes that some biological organisms can undergo in response to external cues. From a technological point of view, they could provide a new platform for the development of biological and chemical sensors, or for the development of active, autonomous matter, that exhibits motion or self-healing characteristics when provided the necessary instructions. The goal of this project is to create molecular models that will permit description of the behavior of lyotropic LCs. Through these models, it will be possible to determine how particular molecular characteristics influence structure and response to external inputs, and to arrive at a fundamental understanding of the structure and properties of this important class of materials. That understanding will then serve as the basis for applications of lyotropic systems in emerging technologies.The project will also involve the training of students on state-of-the-art theoretical and computational techniques within a multidisciplinary environment. In addition, and in collaboration with the Museum of Science and Industry of Chicago, the students will be provided with training and public speaking opportunities that will help them develop communication and presentation skills. A targeted summer program will expose younger generations of at-risk local high-school students to the excitement of science at the forefront of technology.TECHNICAL SUMMARYThis award supports theoretical and computational research and education to advance the fundamental understanding of liquid crystals (LCs). Most of our understanding of liquid crystalline materials has been derived from studies of thermotropic oils, where temperature is used to control phase behavior. Less is known about hierarchically assembled LCs, which include lyotropic systems whose morphology can be controlled by temperature and concentration, and active nematic biopolymers, where autonomous motion or activity can be engendered by chemical means. Hierarchically assembled LCs are of considerable importance because they can be prepared in water and are biocompatible. Furthermore, they often give rise to mesoscopic structures whose characteristic dimensions can be controlled, and are considerably longer than those encountered in thermotropic LCs. The arrangement (or anchoring) of LC molecules at a surface or interface can be controlled through physical and chemical treatments, and the overall orientation (or director) of the material can be further manipulated by external fields. For hierarchically assembled LCs, these two elements, surface and bulk control, are not well understood. More challenging questions, including the relations between internal structure and dynamics, have rarely been addressed before. Importantly, LC-related technologies have benefited considerably from insights provided by theory and simulation. This project seeks to develop a theoretical and computational formalism that will bring the same level of understanding that has been achieved with thermotropic LCs to the study of lyotropic LCs. A central feature of the work will be to elucidate the nature of the defects that arise in lyotropic materials. Depending on the molecular characteristics of the mesogens (e.g. their length or flexibility), such moduli could vary significantly, and lead to completely different defect structures and dynamics. Intriguing questions, including the relations between internal structure, dynamics, and the emergence of spontaneous, directional flows, are only now beginning to be addressed. The current understanding of hierarchically assembled LCs will be advanced considerably by new theoretical formalisms capable of describing the mesophases that arise in such materials, both at equilibrium and beyond equilibrium. The central aim of this project is to develop such formalisms, and to apply them to understand the arrangement or segregation of surface-active molecules or nanoparticles in distinct regions of space, and the formation of ordered, dynamic structures. Such models will rely on the material properties and insights generated on the basis of experimental information and, when needed, finer, coarse-grained levels of description.The project will also involve the training of students on state-of-the-art theoretical and computational techniques within a multidisciplinary environment. In addition, and in collaboration with the Museum of Science and Industry of Chicago, the students will be provided with training and public speaking opportunities that will help them develop communication and presentation skills. A targeted summer program will expose younger generations of at-risk local high-school students to the excitement of science at the forefront of technology.
该奖项支持理论和计算研究和教育,以促进对液晶(LC)的基本理解。液晶材料联合收割机结合了液体的一些性质,例如流动能力,和固体的一些性质,例如高度有序的分子结构、弹性和可控的光学特性。从简单的温度计到最先进的显示技术,它们广泛存在于各种设备中。迄今为止,液晶的大多数应用都依赖于热致材料,其结构和外观随温度而变化。溶致液晶在自然界中大量存在,其行为可以通过其在溶液中的浓度来调节,而不是温度。溶致材料是生物和生命的核心。它们是水溶性的,并且它们提供了,例如,允许细胞保持其形状,移动和繁殖的支架。它们还负责一些生物有机体在响应外部提示时可能发生的颜色变化。从技术的角度来看,它们可以为开发生物和化学传感器或开发活性自主物质提供一个新的平台,这些物质在提供必要的指令时表现出运动或自我修复的特性。这个项目的目标是建立分子模型,将允许描述的行为溶致液晶。通过这些模型,将有可能确定特定的分子特性如何影响结构和对外部输入的响应,并对这类重要材料的结构和性质有一个基本的了解。这一理解将成为溶致体系在新兴技术中应用的基础。该项目还将涉及在多学科环境中对学生进行最先进的理论和计算技术培训。此外,与芝加哥科学与工业博物馆合作,学生将获得培训和公开演讲的机会,这将有助于他们发展沟通和演讲技巧。一个有针对性的暑期项目将使年轻一代的高风险当地高中生接触到科技前沿的科学兴奋。技术总结该奖项支持理论和计算研究和教育,以促进对液晶(LC)的基本理解。我们对液晶材料的大多数理解都来自于对热致性油的研究,其中温度用于控制相行为。关于分层组装的LC知之甚少,其中包括其形态可以通过温度和浓度控制的溶致系统,以及活性生物聚合物,其中自主运动或活性可以通过化学手段产生。分级组装的LC是相当重要的,因为它们可以在水中制备并且是生物相容的。此外,它们通常产生介观结构,其特征尺寸可以控制,并且比热致液晶中遇到的那些长得多。LC分子在表面或界面处的排列(或锚定)可以通过物理和化学处理来控制,并且材料的总体取向(或指向矢)可以进一步通过外部场来操纵。对于分层组装的LC,这两个元素,表面和体积控制,没有得到很好的理解。更具有挑战性的问题,包括内部结构和动力学之间的关系,以前很少得到解决。重要的是,LC相关技术从理论和模拟提供的见解中受益匪浅。这个项目旨在发展一个理论和计算的形式主义,将带来相同的理解水平,已经实现了与热致液晶溶致液晶的研究。这项工作的一个中心特点是阐明溶致材料中出现的缺陷的性质。取决于介晶的分子特性(例如它们的长度或柔性),这种模量可以显著变化,并导致完全不同的缺陷结构和动力学。一些有趣的问题,包括内部结构、动力学和自发的定向流动的出现之间的关系,现在才开始得到解决。目前的理解层次组装LC将大大先进的新的理论形式主义能够描述这种材料中出现的中间相,无论是在平衡和超越平衡。该项目的中心目标是开发这种形式主义,并将其应用于理解不同空间区域中表面活性分子或纳米颗粒的排列或分离,以及有序动态结构的形成。这些模型将依赖于材料特性和基于实验信息产生的洞察力,并在需要时提供更精细、粗粒度的描述。该项目还将涉及在多学科环境中对学生进行最先进的理论和计算技术培训。此外,与芝加哥科学与工业博物馆合作,学生将获得培训和公开演讲的机会,这将有助于他们发展沟通和演讲技巧。一个有针对性的暑期项目将使年轻一代的高风险当地高中生接触到技术前沿的科学兴奋。
项目成果
期刊论文数量(2)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Sculpting stable structures in pure liquids
- DOI:10.1126/sciadv.aav4283
- 发表时间:2019-02-01
- 期刊:
- 影响因子:13.6
- 作者:Emersic, Tadej;Zhang, Rui;Tkalec, Uros
- 通讯作者:Tkalec, Uros
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Juan De Pablo其他文献
Juan De Pablo的其他文献
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{{ truncateString('Juan De Pablo', 18)}}的其他基金
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MRI: Acquisition of a high-performance GPU-based computer for advanced multiscale materials modeling
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1828629 - 财政年份:2018
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1818328 - 财政年份:2018
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1410674 - 财政年份:2014
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Workshop on Molecular Interfaces in Fluids and Materials Warsaw, Poland on June 18-21, 2014, at Warsaw University
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- 批准号:
1303454 - 财政年份:2013
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$ 36.11万 - 项目类别:
Standard Grant
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