Thermal transport and rectification in molecules and nanoporous materials

分子和纳米多孔材料中的热传输和整流

• 批准号: 1361776
• 负责人: David Leitner
• 金额: $ 41.06万
• 依托单位: Board of Regents, NSHE, obo University of Nevada, Reno
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2014
• 资助国家: 美国
• 起止时间: 2014-06-15 至 2019-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1361776&HistoricalAwards=false
• 关键词: Thermal; transport; rectification; molecules; nanoporous

David Leitner of the University of Nevada, Reno is supported by an award from the Chemical Theory, Models and Computational Methods program for the study of heat transport in molecular systems important in biology and technology, including materials adopted in small integrated circuits. The research combines principles developed in a range of disciplines, including materials science, biophysical and theoretical physical chemistry, and brings together communities of scientists and engineers. The principal investigator is involved in communicating science to the public through participation in the Telluride Science Research Center and in outreach activities with students in secondary school.This research centers on development and application of theoretical and computational approaches to study thermal transport on the nanoscale, which is often mediated by interfaces between molecules and their local environment. One aim of the proposal addresses the calculation of thermal conductance in and between large molecules. A second theme focuses on the computation of thermal transport in nanoporous materials, in particular nanoporous glassy materials adopted as highly electronically insulating materials in integrated circuits. A third aim of the proposal concerns the calculation of response times of local probes of energy transport in large molecules, in particular proteins, peptides and molecular chains.

里诺市内华达州大学的大卫莱特纳获得了化学理论、模型和计算方法项目的一个奖项，该项目研究了生物学和技术中重要的分子系统中的热传输，包括小型集成电路中采用的材料。 该研究结合了材料科学、生物物理和理论物理化学等一系列学科的原理，并汇集了科学家和工程师。 主要研究者通过参加碲化物科学研究中心和与中学学生的外联活动，参与向公众传播科学。该研究中心致力于开发和应用理论和计算方法来研究纳米尺度上的热传输，这通常是由分子与其局部环境之间的界面介导的。 该提案的一个目的是解决大分子内部和之间的热导率的计算。 第二个主题的重点是纳米多孔材料，特别是纳米多孔玻璃状材料的热输运的计算采用高度电子绝缘材料在集成电路。 该提案的第三个目的涉及计算大分子，特别是蛋白质，肽和分子链中能量传输的本地探针的响应时间。