二维材料中热传导与粒子扩散、能量扩散之间关系的研究

项目名称： 二维材料中热传导与粒子扩散、能量扩散之间关系的研究

项目编号： No.11205147

项目类型： 青年科学基金项目

立项/批准年度： 2013

项目学科： 物理学II

项目作者： 杨静华

作者单位： 中国计量学院

项目金额： 22万元

中文摘要： 以碳纳米管和石墨烯为代表的低维材料展现出极高的热传导性质，具有广阔的应用前景。但是对其热传导宏观现象背后的微观机制的理解还很不够。在一维系统中已经有研究尝试从微观动力学角度理解热传导机制，并初步建立热传导与粒子扩散之间关系。而在二维系统中热传导与扩散之间是否存在类似的关系，以及二维系统反常热传导的微观机制都还不是很清楚。本项目主要应用分子动力学模拟方法，对二维材料中的粒子扩散、能量扩散与热传导性质进行研究。分别通过对具有长程相互作用势的二维晶格模型中能量扩散与热传导性质的研究，以及对二维散射子模型中粒子、能量扩散与热传导性质的研究，试图从微观动力学角度建立二维材料中热传导与扩散规律之间的联系，为热输运理论的建立提供重要的参考。

中文关键词： 二维系统；粒子扩散；能量扩散；热传导；

英文摘要： Low dimensional materials, such as carbon nanotube and graphene, show high thermal conductivity properties, and have broad application prospects. But the understanding of the microscopic dynamics mechanism under the macroscopic thermal conduction is still not clear. There has been the research of understanding the heat conduction mechanism in one-dimensional material from aspect of microscopic dynamics, and the connection between heat conduction and particle diffusion is established by a simple formula. We still have don't know if there were the connection between heat conduction and diffusion in two-dimensional materials. And the microscopic mechanism of heat conduction mechanism in two-dimensional is still not clear. In this research, the property of particle diffusion, energy diffusion and heat conduction will be studied by molecular dynamics simulation in two-dimensional materials. We try to research the connection between diffusion and heat conduction by the microscopic dynamics mechanism from two methods. One is researching the properties of energy diffusion and heat conduction in two-dimensional lattice materials with long range interaction potential. The other is researching the properties of particle diffusion, energy diffusion and heat conduction in two-dimensional scatterers system.

英文关键词： two dimensional system；particle diffusion；energy diffusion；heat conduction；