CAREER: Efficient Simulation Methods for Colloidal Fluids

这个职业奖支持胶体流体的计算和理论研究，旨在为材料科学教育带来新的概念。该计划的研究部分旨在开发新方法，大大加快胶体流体的热力学和结构特性的模拟。提高模拟效率将被用来消除传统上在胶体流体建模中采用的一些简化方法，包括成分之间的弱尺寸不对称性、球形颗粒形状和各向同性电位。这使得在胶体流体新的物理见解。为了揭示胶体稳定的新机制，将确定目前无法模拟的胶体系统的有效相互作用。将探讨受限几何形状和结构环境的影响。本课程的教育部分将通过通过动手计算机实验向本科生介绍模拟方法，拓宽材料科学和工程课程。PI已经开始并制定了一个新的课程，将使用这种方法。PI将与克拉克亚特兰大大学（CAU）合作，增加少数民族学生的教育机会。模拟课程也将在线教授给中国农业大学的学生。一到两名学生将作为暑期学生与PI一起工作，以获得研究经验。PI在高中教育方面拥有丰富的经验，将开发和教授两个交互式模拟模块，旨在将有才华的中学生和高中生引入科学和工程的新领域。这两个模块都将成为由伊利诺伊大学工程学院继续工程教育办公室和工程女性项目组织的年度夏令营的组成部分。智力优势：在近二十年的时间里，被提议的研究核心的聚类方法一直是深入研究的目标。相关的算法将以数量级的速度加速对各类软凝聚态物质和生物相关系统的数值模拟。胶体流体是开发纳米结构材料的重要起点；实验进展关键取决于理解有效的粒子间力及其对流体结构和稳定性的影响。本研究旨在阐明这些有效对偶电位的作用，并涉及与实验人员的合作。更广泛的影响：PI的模拟方法将能够对大型复杂流体进行计算研究，包括胶体悬浮液、水溶液和玻璃形成液体。模拟课程将有效地整合研究和教学。将现有的方法引入课堂，使本科生能够独立应用。向CAU开放这门课程拓宽了他们的工程项目，为代表性不足的群体增加了机会，并有助于创造一个更多样化的毕业生群体和劳动力。面向初高中学生的模块旨在引起女性和少数民族学生对科学和工程新学科的兴趣。这个职业奖支持胶体流体的计算和理论研究，旨在为材料科学教育带来新的概念。该计划的研究部分旨在开发新方法，大大加快胶体流体的热力学和结构特性的模拟。提高模拟效率将被用来消除传统上在胶体流体建模中采用的一些简化方法，包括成分之间的弱尺寸不对称性、球形颗粒形状和各向同性电位。这使得在胶体流体新的物理见解。为了揭示胶体稳定的新机制，将确定目前无法模拟的胶体系统的有效相互作用。将探讨受限几何形状和结构环境的影响。本课程的教育部分将通过通过动手计算机实验向本科生介绍模拟方法，拓宽材料科学和工程课程。PI已经开始并制定了一个新的课程，将使用这种方法。PI将与克拉克亚特兰大大学（CAU）合作，增加少数民族学生的教育机会。模拟课程也将在线教授给中国农业大学的学生。一到两名学生将作为暑期学生与PI一起工作，以获得研究经验。PI在高中教育方面拥有丰富的经验，将开发和教授两个交互式模拟模块，旨在将有才华的中学生和高中生引入科学和工程的新领域。这两个模块都将成为由伊利诺伊大学工程学院继续工程教育办公室和工程女性项目组织的年度夏令营的组成部分。智力优势：在近二十年的时间里，被提议的研究核心的聚类方法一直是深入研究的目标。相关的算法将以数量级的速度加速对各类软凝聚态物质和生物相关系统的数值模拟。胶体流体是开发纳米结构材料的重要起点；实验进展关键取决于理解有效的粒子间力及其对流体结构和稳定性的影响。本研究旨在阐明这些有效对偶电位的作用，并涉及与实验人员的合作。更广泛的影响：PI的模拟方法将能够对大型复杂流体进行计算研究，包括胶体悬浮液、水溶液和玻璃形成液体。模拟课程将有效地整合研究和教学。将现有的方法引入课堂，使本科生能够独立应用。向CAU开放这门课程拓宽了他们的工程项目，为代表性不足的群体增加了机会，并有助于创造一个更多样化的毕业生群体和劳动力。面向初高中学生的模块旨在引起女性和少数民族学生对科学和工程新学科的兴趣

This CAREER award supports computational and theoretical research on colloidal fluids and aims to bring new concepts to materials science education.The research component of the program aims to develop new methods that dramatically accelerate the simulation of thermodynamic and structural properties of colloidal fluids. Increased simulation efficiency will be exploited to eliminate a number of simplifications traditionally adopted in modeling colloidal fluids, including weak size asymmetry between the constituents, spherical particle shape, and isotropic potentials. This enables new physical insights in colloidal fluids. Effective interactions will be determined for colloidal systems that are currently inaccessible to simulation in order to uncover new mechanisms for colloidal stabilization. The effect of confined geometries and structured environments will be explored.The educational component of this program will broaden the materials science and engineering curriculum by introducing undergraduate students to simulation methods via hands-on computer experiments. The PI has initiated and developed a new course in which this approach will be used. The PI will collaborate with Clark Atlanta University (CAU) to enhance educational opportunities for minority students. The simulation course will also be taught on-line to students at CAU. One or two students will work with the PI as summer students, in order to gain research experience. The PI has extensive experience in high-school education and will develop and teach two interactive simulation modules, with an aim to introduce talented middle and high-school students to new areas in science and engineering. Both modules will be an integral part of yearly summer camps organized by the Women in Engineering program and the Office of ContinuingEngineering Education of the College of Engineering at the University of Illinois.Intellectual merit: The cluster methods at the heart of the proposed research have been the goal of intense investigation over nearly two decades. The associated algorithms will accelerate, by orders of magnitude, the numerical simulation of broad classes of soft condensed-matter and biologically relevant systems. Colloidal fluids constitute an important starting point for developing nanostructured materials; experimental progress critically depends on understanding effective interparticle forces and their effect on structure and stability of the fluid. The research aims to elucidate the role of these effective pair potentials and involves collaboration with experimentalists. Broader impacts: The PI's simulation methods will enable the computational study of large classes of complex fluids, including colloidal suspensions, aqueous solutions, and glass-forming liquids.The simulation course will effectively integrate research and education. Current methods will be brought into the classroom, enabling undergraduate students to independently apply them. Making the course available to CAU broadens their engineering program, increases opportunities for underrepresented groups, and helps to create a more diverse graduate population and work force. The modules for middle- and high-school students aim to generate interest among female and minority students in new disciplines in science and engineering.%%%This CAREER award supports computational and theoretical research on colloidal fluids and aims to bring new concepts to materials science education.The research component of the program aims to develop new methods that dramatically accelerate the simulation of thermodynamic and structural properties of colloidal fluids. Increased simulation efficiency will be exploited to eliminate a number of simplifications traditionally adopted in modeling colloidal fluids, including weak size asymmetry between the constituents, spherical particle shape, and isotropic potentials. This enables new physical insights in colloidal fluids. Effective interactions will be determined for colloidal systems that are currently inaccessible to simulation in order to uncover new mechanisms for colloidal stabilization. The effect of confined geometries and structured environments will be explored.The educational component of this program will broaden the materials science and engineering curriculum by introducing undergraduate students to simulation methods via hands-on computer experiments. The PI has initiated and developed a new course in which this approach will be used. The PI will collaborate with Clark Atlanta University (CAU) to enhance educational opportunities for minority students. The simulation course will also be taught on-line to students at CAU. One or two students will work with the PI as summer students, in order to gain research experience. The PI has extensive experience in high-school education and will develop and teach two interactive simulation modules, with an aim to introduce talented middle and high-school students to new areas in science and engineering. Both modules will be an integral part of yearly summer camps organized by the Women in Engineering program and the Office of ContinuingEngineering Education of the College of Engineering at the University of Illinois.Intellectual merit: The cluster methods at the heart of the proposed research have been the goal of intense investigation over nearly two decades. The associated algorithms will accelerate, by orders of magnitude, the numerical simulation of broad classes of soft condensed-matter and biologically relevant systems. Colloidal fluids constitute an important starting point for developing nanostructured materials; experimental progress critically depends on understanding effective interparticle forces and their effect on structure and stability of the fluid. The research aims to elucidate the role of these effective pair potentials and involves collaboration with experimentalists. Broader impacts: The PI's simulation methods will enable the computational study of large classes of complex fluids, including colloidal suspensions, aqueous solutions, and glass-forming liquids.The simulation course will effectively integrate research and education. Current methods will be brought into the classroom, enabling undergraduate students to independently apply them. Making the course available to CAU broadens their engineering program, increases opportunities for underrepresented groups, and helps to create a more diverse graduate population and work force. The modules for middle- and high-school students aim to generate interest among female and minority students in new disciplines in science and engineering.***