Computational study of thermal transport in carbon nanotube based nanocomposites

碳纳米管基纳米复合材料热传输的计算研究

基本信息

批准号：
1033919
负责人：
Leonid Zhigilei
金额：
$ 29万
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：
2010
资助国家：
美国
起止时间：
2010-10-01 至 2014-09-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1033919&HistoricalAwards=false
关键词：
Computational study thermal transport carbon

Computational study thermal transport carbon

项目摘要

1033919 ZhigileiThe high thermal conductivity of carbon nanotubes (CNTs) suggests they are a promising candidate for an array of thermal management solutions. However, the measured thermal transport properties of CNT mats and films range from those characteristic of thermal insulators to effective heat conductors. The objective of this project is to develop a fundamental understanding of how the thermal properties of composite mats, films and other structures that consist of thousands of interacting CNTs depend on the structural arrangement of the CNTs. Intellectual Merit: A model will be developed to simulate the coupled thermal, structural, and mechanical effects that ultimately determine the thermal transport properties of CNT-based nanocomposites. The model will include description of tube-to-tube interactions, and atomic-level molecular dynamics simulations will be used to guide the design of a mesoscopic model. Systematic analyses will reveal the relationship between the CNT structure and thermal transport properties of the nanocomposite material. The effect of mechanical deformation of CNT-based materials on heat transfer will also be investigated and related to the changes in the structural characteristics of the materials. Broader impacts: This research may be useful in modeling other types of nanofiber and nanowire structures, as well as in computational studies of biological systems. The educational program involves student participation in various aspects of high-performance computing, incorporation of the research results into graduate and upper-undergraduate courses, and the development of an interactive web-site that will provide a non-technical description of general concepts of the linkage between heat transfer and the mechanical behavior of CNT-reinforced nanocomposite materials to a broad audience.

1033919碳纳米管（CNT）的Zhigileithe高热导电性表明它们是一系列热管理溶液的有前途的候选人。但是，测得的CNT垫和膜的热传输特性范围从热绝缘体的特征到有效的热导体。该项目的目的是对复合垫，膜和其他结构的热性能如何组成的基本了解取决于CNT的结构布置。智力优点：将开发一个模型来模拟耦合的热，结构和机械效应，该效应最终决定了基于CNT的纳米复合材料的热传输特性。该模型将包括对管到管相互作用的描述，原子级分子动力学模拟将用于指导介质模型的设计。系统分析将揭示纳米复合材料的CNT结构与热传输特性之间的关系。还将研究基于CNT的材料对传热转移的机械变形的影响，并与材料结构特征的变化有关。更广泛的影响：这项研究可能有助于对其他类型的纳米纤维和纳米线结构以及生物系统的计算研究进行建模。该教育计划涉及学生参与高性能计算的各个方面，将研究结果纳入研究生和高年级课程中，以及开发交互式网站的发展，该网站将提供对热传递与CNT耐药纳米复合材料机械行为之间联系的一般概念的一般概念。