International Research Fellowship Program: Thermodynamics and Kinetics of Isolated, Molecular Systems

国际研究奖学金计划：孤立分子系统的热力学和动力学

• 批准号: 0700911
• 负责人: Jason Green
• 金额: --
• 依托单位: Green Jason R
• 依托单位国家: 美国
• 项目类别: Fellowship Award
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-06-01 至 2010-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0700911&HistoricalAwards=false
• 关键词: International; Research; Fellowship; Program; Thermodynamics

0700911GreenThe International Research Fellowship Program enables U.S. scientists and engineers to conduct nine to twenty-four months of research abroad. The program's awards provide opportunities for joint research, and the use of unique or complementary facilities, expertise and experimental conditions abroad.This award will support a twenty-four-month research fellowship by Dr. Jason R. Green to work with Dr. David J. Wales at the University of Cambridge in the United Kingdom, and with Dr. R. Stephen Berry at the University of Chicago in the US.This project combines analytic theory and computation with the goal of elucidating connections between the statistical properties and processes of isolated, molecular systems and nonextensive statistical mechanics. Isolated molecules are routinely studied across the fields of chemistry, biology, and physics. The attention given to these systems makes them an information-rich source for the cultivation of new theory. Statistical mechanical, thermodynamic and traditional statistical kinetic treatments have been successfully applied to the investigation of isolated systems. Molecular systems can, however, deviate from traditional behavior, sometimes extremely. Deviations from theoretical prediction can manifest themselves as differences in the probability and state densities of single-particle vibrational statistics and in the kinetics and dynamics on the potential energy landscape. These deviations point to a need for more general theories describing molecular systems. Our efforts to develop such theories involve the calculation of probability and state densities for model molecular systems. Densities can be used to determine extensive and nonextensive statistical thermodynamic quantities and to model kinetics and dynamics. By comparing these properties and processes of molecules that deviate from traditional theories to those that do not, insight is gained into more general descriptions of the behavior of isolated molecules.

0700911绿色国际研究奖学金计划使美国科学家和工程师能够在国外进行9到24个月的研究。 该计划的奖项提供了联合研究的机会，以及使用独特或互补的设施，专业知识和国外的实验条件。绿色与英国剑桥大学的大卫·J·威尔士博士和R·J·威尔士博士合作。美国芝加哥大学的Stephen Berry。该项目结合了分析理论和计算，旨在阐明孤立分子系统的统计特性和过程与非广延统计力学之间的联系。孤立的分子通常在化学、生物学和物理学领域进行研究。对这些系统的关注使它们成为培养新理论的丰富信息来源。统计力学，热力学和传统的统计动力学处理已成功地应用于孤立系统的研究。然而，分子系统可以偏离传统的行为，有时是极端的。 与理论预测的偏差可以表现为单粒子振动统计的概率和状态密度的差异，以及势能面上的动力学和动力学的差异。这些偏差表明需要更一般的理论来描述分子系统。我们的努力，发展这样的理论，包括计算模型分子系统的概率和状态密度。密度可以用来确定广泛和非广泛的统计热力学量，并建立动力学和动力学模型。通过比较偏离传统理论的分子的这些性质和过程，可以深入了解孤立分子行为的更一般的描述。