NANO-SCALE MODELING OF SOLID HEAT CONDUCTION FOR WIDE-GAP SEMICONDUCTOR DEVICES

宽禁带半导体器件固体热传导的纳米级建模

• 批准号: 17560185
• 负责人: MATSUMOTO Mitsuhiro
• 金额: $ 2.24万
• 依托单位: KYOTO UNIVERSITY
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2005
• 资助国家: 日本
• 起止时间: 2005 至 2006
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-17560185/
• 关键词: SOLID HEAT CONDUCTION; WIDE-GAP SEMICONDUCTOR; LATTICE VIBRATION ANALYSIS; THERMAL RESISTANCE; PHONON LIFETIME

Wide-gap semiconductors, such as SiC and GaN, are prospective materials for their high electronic mobility. This project has aimed at nano-micro scale modeling of their thermal properties, especially heat transfer from the viewpoint of phonon propagation. Combined with large-scale molecular dynamics simulations, various phonon analysis technique based on statistical mechanics and Boltzmann transport equations, we have planned to develop a simulator to calculate thermal properties of solids with nano-scale structures.In this project, we have done the following researches: (1) we developed alarge-scale efficient molecular dynamics (MD) simulation code for semiconducting materials and their interface. (2) we proposed a new technique of phonon analysis based on non-equilibrium MD simulations to estimate phonon relaxation time, with which technique we found that the relaxation time strongly depends on phonon frequency. (3) With this simulator, we investigated thermal transport properties of single crystals and various interfacial systems.The main outcome of this project will be reported at ASME-JSME Thermal Engineering Summer Heat Transfer Conference (Vancouver, July, 2007) and also be published elsewhere.

宽禁带半导体，如碳化硅和氮化镓，具有很高的电子迁移率，是一种很有前途的材料。本项目的目标是从声子传播的角度对它们的热性质进行纳-微尺度的模拟，特别是热传递的模拟。结合大规模分子动力学模拟、基于统计力学和玻尔兹曼输运方程的各种声子分析技术，我们计划开发一种计算纳米结构固体热性质的模拟器。在这个项目中，我们做了以下研究：(1)开发了大规模高效的半导体材料及其界面分子动力学模拟程序。(2)提出了一种基于非平衡MD模拟的声子分析方法来估算声子弛豫时间，发现声子弛豫时间强烈依赖于声子频率。(3)利用该模拟器，我们研究了单晶和各种界面体系的热输运性质。本项目的主要成果将在2007年7月在温哥华举行的ASME-JSME热工程夏季热传递会议上公布，也将在其他地方发表。

项目成果

Extracting Phonon States and Interactions from Molecular Dynamics Simulation

从分子动力学模拟中提取声子态和相互作用

• 发表时间: 2005
• 期刊: Proceeing of 5th Kyoto-Seoul National-Tsinghua University Thermal Engineering Conference (Seoul)
• 作者: P.Xiao;M.Matsumoto
• 通讯作者: M.Matsumoto

Relaxation of phonons in classical MD simulation

经典 MD 模拟中声子的弛豫

• 发表时间: 2008
• 期刊: Journal of Thermal Science and Technology Vol. 3
• 作者: Mitsuhiro Matsumoto;Tomohisa Kunisawa;Peng Xiao
• 通讯作者: Peng Xiao

Microscale Heat Conduction and Interfacial Resistance in Solid

固体中的微尺度热传导和界面热阻

• 发表时间: 2005
• 期刊: Proceeding of 6th KSME-JSME Thermal and Fluids Engineering Conference (Jeju, Korea)
• 作者: M.Matsumoto;Y.Ito;H.Wakabayashi;T.Makino
• 通讯作者: T.Makino

Molecular Dynamics Study on Phonon Dynamics in Single-Crystal Silicon and Argon

单晶硅和氩中声子动力学的分子动力学研究

• 发表时间: 2007
• 作者: Peng Xiao;Mitsuhiro Matsumoto
• 通讯作者: Mitsuhiro Matsumoto