Nucleation and glassy dynamics in supercooled liquids

当液体继续冷却到熔点以下时，它最终会变硬，要么通过相变变成晶体，要么通过连续的动态减速变成玻璃。从生物材料的物理特性到陶瓷和光学透镜的制造，在成核和玻璃形成之间存在竞争的许多例子都强调了理解这两个过程之间联系的重要性。我的研究计划的目标是统一我们对这两个对立过程的理解，使用计算机模拟作为我们的主要工具。这项研究对于控制材料制造的各个方面，对于理解为什么一些液体结晶，而另一些则倾向于形成玻璃，以及提高我们控制原子团簇性质的能力都是重要的。我们还将把各种理论和计算技术应用于生物性质的系统，例如病毒衣壳，希望学习如何利用这些系统中存在的自组装的固有力量来进行技术开发。该研究旨在培养学生在成核和玻璃形成等重要领域的专业知识，这些领域可以应用于材料科学和工程，以及食品和生物领域。

As a liquid continues to cool below its melting temperature, it will eventually harden, either by a phase change to a crystal, or by a continuous dynamic slowdown to a glass. The many examples where the competition between nucleation and glass formation is present, from physical properties of biological materials to the manufacture of ceramics and optical lenses, underscore the importance of understanding the connections between the two processes. The goal of my research plan is to unify our understanding of these two opposing processes, using computer simulation as our primary tool. The research will be important for controlling aspects of material fabrication, for understanding why some liquids crystallize, while others tend to form glasses, and for improving our ability to control properties of atomic clusters. We will also apply the various theoretical and computational techniques to systems of a biological nature, e.g. viral capsids, in hopes of learning how to harness the inherent power of self-assembly present in these systems for technological development. The research is designed to develop in students an expertise in the important areas of nucleation and glass formation that finds application in materials science and engineering, as well as the food and biological sectors.