IDR: Molecular engineering of thermal interfaces

IDR：热界面的分子工程

• 批准号: 1134311
• 负责人: Avik Ghosh
• 金额: $ 55.9万
• 依托单位: University of Virginia Main Campus
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-09-01 至 2016-02-29
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1134311&HistoricalAwards=false
• 关键词: IDR; Molecular; engineering; thermal; interfaces

IDR: Molecular Engineering of Thermal Interfaces 1134311Avik Ghosh, Patrick E. Hopkins & Lloyd R. Harriott Engineering the conduction of heat in solid materials is essential for a wide array of applications, ranging from thermal management of electronics, to power generation, to information technology. Many of these modern systems include materials and structures with characteristic length scales on the order of tens to hundreds of nanometers. At these length scales, the major thermal resistances arise at the interfaces between two materials, leading to thermal properties of nanosystems that are strongly dictated by these solid interfaces. Therefore, it is of utmost importance to develop mechanisms of controlling and tuning the thermal transport across interfaces to be able to accurately manage the thermal properties of nanosystems. To achieve this, this project will explore thermal transport between two solid layers, controlled by properties of organic molecules grown at their interface. Through the interplay between the wide-band, spatially localized molecular vibrons and the narrow-band, spatially delocalized substrate phonons, the project will aim for the systematic and targeted engineering of the composition, morphology and phonon bandstructures of material interfaces at the molecular scale in order to achieve a high degree of tunability of the interfacial thermal conductance. A combined and closely coupled theoretical and experimental study will be launched exploring various classes of self-assembled monolayers (SAMs) of organic molecules as thermal interfacial materials, as a function of variables such as the SAM and substrate quality and material, utilizing self-assembly and most importantly a rich variety of functional chemistry. The thermal transport across the wide array of SAM-based interfaces will be measured with time domain thermoreflectance. The experimental results will be strongly coupled with ab initio modeling efforts utilizing Nonequilibrium Green's Functions formalisms. The science discovered in this project will also be widely applicable to thermal engineering of generic metal and semiconductor interfacial systems.The intellectual merit of this proposed work is in the development of a new understanding of nanoscale interfacial thermal properties. This will prove critical for the atomistic control of heat flow. Through the close synergy between theory and experiment, the study will enhance the understanding of heat flow and dissipation at their most fundamental, microscopic limits, combining atomistic concepts behind molecular heat flow with solid state concepts of bulk heat flow. It will bridge disciplines, materials, and ultimately the boundary between fundamental science and technological applications. Accurate, well benchmarked simulations will address the critical role of band-alignment and chemistry at the solid-molecular interface. Experiments will focus on fabrication of well-defined SAM-based interfacial structures, modifying them through molecular chemistry, characterization and measurement of thermal boundary resistances with a goal towards creating high quality tunable thermal boundaries. The broader impacts of this project include both engineering relevance and education/outreach components. The knowledge gained will introduce a new concept in nanoscale science: thermal interface control and engineering via molecular chemistry. Nanoscale thermal management and control will bring about disruptive changes to science, technology and economics, ranging from superior quality and tailor-made thermal coatings and thermoelectric refrigerators, to better heat management in the multi-billion dollar semiconductor industry. Educational and outreach activities will involve creation of a nano-curriculum at UVa, tutorial creation on the thermalHUB, integration of research and education through thermal transport labs in courses taught by the PIs, conference organization of session on molecular heat transfer with undergraduate involvement, engaging minority undergraduate students for summer projects through the REU program and training middle school teachers for curriculum development utilizing UVA's Center for Diversity in Engineering.

IDR：热接口的分子工程1134311AVIK GHOSH，PATRICK E. HOPKINS和LLOYD R. HARRIOTT ENGINES UNGINES UNGINES固体材料中的热传导对于从电子管理的热管理到电力，到电力生成，到信息技术至关重要。 这些现代系统中的许多都包括在数十个纳米的范围内具有特征长度尺度的材料和结构。 在这些长度尺度上，主要的热电阻在两种材料之间的界面上产生，从而导致纳米系统的热性能由这些固体接口强烈决定。 因此，开发控制和调整跨接口的热传输的机制至关重要，以便能够准确管理纳米系统的热性能。 为了实现这一目标，该项目将探索两个固体层之间的热传输，并受到其界面上生长的有机分子的特性控制。 通过宽频段，空间局部的分子颤音与狭窄的频段，空间Delocalized的底物声子之间的相互作用，该项目将旨在以分子尺度的材料界面的组成，形态和声音界面的系统和有针对性的工程，以实现高度可调性的互动能力。将启动一项结合且紧密耦合的理论和实验研究，探索有机分子作为热界面材料的各种自组装单层（SAM），这是SAM和底物质量和材料等变量的函数，这些变量利用了自组装，以及最重要的是多种功能功能化学的化学化学。 跨SAM基界面的热传输将通过时域的热反射率进行测量。 实验结果将与从头算建模的努力强烈结合，利用Green的非平衡功能形式主义。 该项目中发现的科学也将广泛适用于通用金属和半导体界面系统的热工程。这项提出的工作的智力优点是对纳米级界面热特性的新了解。 这将证明对热流的原子控制至关重要。通过理论和实验之间的紧密协同作用，该研究将在其最基本的微观极限上增强对热流和耗散的理解，将分子热流动背后的原子概念与固态热量概念相结合。它将弥合学科，材料，并最终在基本科学与技术应用之间的边界。 精确，基准的模拟将解决固体分子界面上频段和化学的关键作用。 实验将集中于制造明确定义的SAM界面结构，通过分子化学，表征和测量热边界电阻的特征和测量，以创建高质量的可调热边界。该项目的更广泛影响包括工程相关性和教育/外展组件。 获得的知识将引入纳米级科学的新概念：通过分子化学的热接口控制和工程。 纳米级热管理和控制将对科学，技术和经济学带来破坏性的变化，从卓越的质量和量身定制的热涂层以及热电冰箱，再到数十亿美元半导体行业的热量管理。教育和宣传活动将涉及在UVA上创建纳米校，在热力家庭上创建教程创建，在PIS教授的课程中，通过热运输实验室整合研究和教育，分子会议的课程，分子组织会议组织，分子热传播与少数群体的培训，以培训少数群体，以培训少数群体，以培训REU的培训，以培训REU的培训，并培训REU的培训。工程多样性。