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Assembly Engineering of Patchy Particles into Complex Structures

零散颗粒到复杂结构的组装工程

Sharon Glotzer

the University of Michigan

密歇根大学安娜堡分校

Abstract

The ability to predict, design and make the perfect material with just the right properties to do what we want, how we want, and when we want is the holy grail of materials research. Such “materials on demand” require control over thermodynamics, kinetics, nonequilibrium behavior, and structure across many length and time scales. With the growing ability for on-demand synthesis of patchy particles and continuing advances in computer simulation capabilities, we have never been closer to the goal, but many challenges – and opportunities – remain. Many of those are at the boundaries of the subfields of materials research, where ideas from one area spur advances in others, and where computational tools and concepts are transferable across domains and scales. At the same time, foundational understanding at one scale can help understand new discoveries at different scales, regardless of the nature of the material and the forces holding it together. In this lecture, we show how atomic and molecular crystal structures – made possible by chemical bonds – can be designed, predicted and realized for nanoparticles via entropic and enthalpic bonds. We show how particle shape gives rise to entropic patchiness. e show that similar crystallization pathways are followed by both molecular and colloidal fluids regardless of driving forces or relevant length scales. Finally, we show how colloidal crystal prediction may be amenable to modern tools used for atomic crystal prediction.

预测、设计和制造完美材料的能力是研究人员一直以来的追求，这种“按需材料”的制备需要控制热力学、动力学和非平衡行为，以及跨尺度和跨时间的结构。随着按需合成零散颗粒的能力不断增强，以及计算机模拟能力的迭代突破，我们越来越接近这个目标，但也仍面临需要挑战。其中，在一个尺度下的基础研究可以帮助理解不同尺度下的新发现，而无需考虑材料的性质以及将其结合在一起的驱动力。在本次手机版中，我将展示如何通过熵键和焓键，设计、预测并实现纳米颗粒的原子和分子晶体结构。我们发现，无论驱动力或相关尺度如何，分子和胶体流体都遵循类似的结晶路径。最后，我将介绍如何通过现代工具对原子晶体进行预测。

Biography

Sharon C. Glotzer is the John W. Cahn Distinguished University Professor at the University of Michigan, Ann Arbor, the Stuart W. Churchill Collegiate Professor of Chemical Engineering, and the Anthony C. Lembke Department Chair of Chemical Engineering. She is also Professor of Materials Science and Engineering, Physics, Applied Physics, and Macromolecular Science and Engineering. Her research on computational assembly science and engineering aims toward predictive materials design of colloidal and soft matter: using computation, geometrical concepts, and statistical mechanics, her research group seeks to understand complex behavior emerging from simple rules and forces, and use that knowledge to design new classes of materials. Glotzer’s group also develops and disseminates powerful open-source software including the particle simulation toolkit, HOOMD-blue, which allows for fast molecular simulation of materials on graphics processors, the signac framework for data and workflow management, and several analysis and visualization tools. Glotzer is an elected member of the National Academy of Engineering, the National Academy of Sciences, and the American Academy of Arts and Sciences, and is a fellow of the American Association for the Advancement of Science, the American Physical Society, the American Institute of Chemical Engineers, the Materials Research Society, and the Royal Society of Chemistry. She is a Simons Investigator, a former Vannevar Bush Faculty Fellow, and the recipient of numerous other awards and honors, including the Aneesur Rahman Prize for Computational Physics from the American Physical Society; the Nanoscale Science and Engineering Forum Award and the Alpha Chi Sigma Award, both from the American Institute of Chemical Engineers; and the Fred Kavli Distinguished Lectureship in Materials Science and the MRS Medal, both from the Materials Research Society.

Sharon C. Glotzer教授是密歇根大学安娜堡分校明升手机工程学院的讲席教授，同时担任明升手机工程系主任。她的主要研究方向为计算组装明升体育app与工程，旨在预测胶体和软物质的材料设计，利用计算辅助、几何概念和统计力学，去理解复杂行为背后的简单规则与驱动力，并借此设计新的材料类别。Glotzer教授课题组还开发了强大的开源软件，包括粒子模拟工具包，用于对材料进行快速的分子模拟，以及一些分析和可视化工具。Glotzer教授是美国国家工程院、国家明升体育app院和美国艺术与明升体育app院的院士，也是美国明升体育app进步协会、美国物理学会、美国明升手机工程师学会和美国材料研究学会的会员。同时，她曾获得诸多奖项和荣誉，包括美国物理学会的Aneesur Rahman计算物理奖，美国明升手机工程师学会颁发的纳米明升体育app与工程论坛奖，以及来自材料研究学会的MRS奖章。

Keywords

Assembly Engineering组装工程

Materials on Demand 按需材料

Patchy Particles 零散颗粒

同时，本次讲座也邀请了来自加州大学洛杉矶分校的Paul S Weiss教授带来精彩的主持。来自爱荷华州立大学的Martin Thuo教授和来自德克萨斯大学奥斯汀分校的Nicholas A. Peppas教授，以及来自北京大学的张海霞教授担任嘉宾。精彩不断，敬请期待！

At the same time, this lecture also invited Professor Paul S Weiss from University of California to bring a wonderful host. Professor Martin Thuo from Iowa State University and professor Nicholas A. Peppas from the University of Texas at Austin and professor Haixia Zhang from Peking University as guests. Please look forward to it!