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硼纳米管热传导的分子动力学模拟

发表时间:2010-02-15  浏览量:1552  下载量:727
全部作者: 汪敏,陈云飞
作者单位: 东南大学机械工程学院;东南大学微电子机械系统教育部重点实验室
摘 要: 以(6,6)扶手椅型B纳米管为研究对象,采用分子动力学直接法,计算500 K时B纳米管在不同长度下的导热系数值,并通过外推法求解出无限长体系下B纳米管的导热系数。模拟结果表明:(6,6)B纳米管具有较高的导热系数;导热系数随B纳米管长度的增加而逐渐增大;在无限长的体系下,导热系数可达到4 960�7 W/Km� 经过分析,产生较高导热系数可能是由于B管内无边界散射和存在强硬的σ键。
关 键 词: 传热学;硼纳米管;导热系数;直接法;外推法
Title: Molecular dynamic simulation of thermal conductivity of boron nanotubes
Author: WANG Min, CHEN Yunfei
Organization: School of Mechanical Engineering, Southeast University;Key Laboratory of MEMS, Ministry of Education, Southeast University
Abstract: Thermal conductivities of (6,6) armchair boron nanotubes with different lengths at temperature 500 K were simulated by means of direct method. The thermal conductivity in an infinite system was calculated from the extrapolation method. Simulation results demonstrated that the (6,6) boron nanotubes have a high thermal conductivity, and it increases with the length of the nanotube. For an infinitely long boron nanotube, the thermal conductivity can reach as high as 4 960.7 W/Km. The high thermal conductivity is due to no�boundary scattering and strong and stiff σ bond in boron nanotubes.
Key words: heat transmission science; boron nanotubes; thermal conductivity; direct method; extrapolation method
发表期数: 2010年2月第3期
引用格式: 汪敏,陈云飞. 硼纳米管热传导的分子动力学模拟[J]. 中国科技论文在线精品论文,2010,3(3):245-230.
 
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