Kinetic Theory of Equilibrium Liquids, Supercooled Liquids, and Glasses

平衡液体、过冷液体和玻璃的动力学理论

• 批准号: 0408786
• 负责人: Hans Andersen
• 金额: $ 57万
• 依托单位: Stanford University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-06-01 至 2007-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0408786&HistoricalAwards=false
• 关键词: Kinetic; Theory; Equilibrium; Liquids; Supercooled

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.

斯坦福大学的Hans Christian Andersen教授获得了理论和计算化学项目的一项奖励，以开展研究，改进理解玻璃化转变的理论方法。 采取三种相互关联的方法，所有这些方法都结合使用一个正式的确切的图解理论和模拟，用于测试这个图解理论的预测。 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，用于确定原子液体在低温平衡液体和稍微过冷液体状态下的时间相关函数;发展液体和聚合物的晶格模型;以及研究简单晶格模型中玻璃化转变弛豫的不均匀性。 这一理论研究对于理解玻璃化转变非常重要，因为当接近转变时会发生临界减速，使得模拟变得困难或不可能，并且需要开发更好的分析理论。 该研究预计将对几种技术产生广泛的影响，包括过冷液体，胶体溶液，相序和颗粒介质。