Coupled transport in energy conversion devices

能量转换装置中的耦合传输

• 批准号: 0554089
• 负责人: Greg Walker
• 金额: --
• 依托单位: Vanderbilt University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-09-15 至 2010-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0554089&HistoricalAwards=false
• 关键词: Coupled; transport; energy; conversion; devices

ABSTRACTNational Science FoundationProposal Number CTS-0554089Principal Investigator Walker, GregAffiliation Vanderbilt UniversityProposal Title Coupled transport in energy conversion deviceCurrently, little is understood about the detailed transport and interactions between charged and uncharged energy carriers at small scales. Particularly in energy conversion devices, where performance is often governed by the competition between electronic and thermal transport, understanding of fundamental interactions between electrons and phonons is critical. While attention has been devoted to characterization of thermal transport in confined materials and electron transport in nanoelectronics, little research has been performed that treats the two effects simultaneously in a physically rigorous way. Nonequilibrium Green's functions (NEGF) represents a novel approach to solving coupled energy transport challenges at small scales. The approach abandons particle models in favor of true quantum solutions for atomistic to microscale transport of electrons including interactions with phonons in highly scaled devices and structures. In addition to the unique energy conversion devices that will be studied, the effort will promote detailed prediction of the operation of emerging nanoscale technologies and devices through physically rigorous simulation approaches. With respect to the Broader Impacts, this project will leverage high-performance computing resources to achieve tractable solutions and to address physically relevant applications. Computational models and simulation tools will be released to the scientific community to further the impact of the effort. Therefore, the present work can be extended by the community to consider additional physics and/or new applications well beyond the scope of this award. The project will be key to the intellectual development of two graduate students, and the technical outcomes will be part of a course on high performance computing that is being developed by the PI.

摘要国家科学基金会提案编号 CTS-0554089 首席研究员 Walker, Greg 隶属范德比尔特大学提案标题能量转换装置中的耦合传输目前，人们对小尺度带电和不带电能量载体之间的详细传输和相互作用知之甚少。 特别是在能量转换设备中，其性能通常由电子和热传输之间的竞争决定，因此了解电子和声子之间的基本相互作用至关重要。 虽然人们的注意力集中在受限材料中的热传输和纳米电子学中的电子传输的表征上，但很少有研究以物理上严格的方式同时处理这两种效应。 非平衡格林函数（NEGF）代表了一种解决小规模耦合能量传输挑战的新方法。 该方法放弃了粒子模型，转而采用真正的量子解决方案，用于电子的原子到微观尺度的传输，包括与高度尺度的设备和结构中的声子的相互作用。 除了将研究的独特的能量转换装置外，这项工作还将通过严格的物理模拟方法促进对新兴纳米技术和装置的运行的详细预测。 就更广泛的影响而言，该项目将利用高性能计算资源来实现易于处理的解决方案并解决物理相关的应用程序。计算模型和模拟工具将向科学界发布，以进一步扩大这项工作的影响。 因此，当前的工作可以由社区扩展，以考虑远远超出本奖项范围的其他物理和/或新应用。 该项目将成为两名研究生智力发展的关键，其技术成果将成为 PI 正在开发的高性能计算课程的一部分。