Kinetic Theory of Equilibrium Liquids, Supercooled Liquids, and Glasses

斯坦福大学的汉斯·克里斯蒂安·安德森教授得到了理论和计算化学项目颁发的奖项的支持，以开展研究，开发出理解玻璃化转变的改进的理论方法。采用了三种相互关联的方法，所有这些方法都结合了形式上精确的图解理论和用来检验该图解理论的预测的模拟。理解玻璃化转变的三种方法包括：发展精确的近似动力学理论，用于确定低温平衡液和略过冷液体区域中原子液体的时间关联函数；发展液体和聚合物的晶格模型；以及研究简单晶格模型中向玻璃化转变的弛豫的不均匀性质。这一理论研究对于理解玻璃化转变是重要的，因为随着转变的临近，临界减速会发生，这使得模拟变得困难或不可能，并且需要发展更好的分析理论。这项研究预计将对几项技术产生广泛影响，包括过冷液体、胶体溶液、相序和颗粒介质。

Professor Hans Christian Andersen of Stanford University is supported by an award from the Theoretical and Computational Chemistry program to carry out research in which improved theoretical methods for understanding the glass transition are developed. Three interrelated approaches are taken, all of which make combined use of a formally exact diagrammatic theory and simulations which are used to test predictions of this diagrammatic theory. The three approaches to understanding the glass transition include: development of accurate approximate kinetic theories for the determination of time correlation functions of atomic liquids in the low temperature equilibrium liquid and slightly supercooled liquid regimes; the development of lattice models for liquids and polymers; and the study of the inhomogeneous nature of relaxation toward the glass transition in simple lattice models. This theoretical research is important for understanding the glass transition, since critical slowing down occurs as the transition is approached, making simulations difficult or impossible, and requiring the development of better analytical theories. The research is expected to have a broad impact on several technologies including supercooled liquids, colloidal solutions, phase ordering and granular media.