基底对硅纳米线热导率影响的分子动力学的研究.docVIP

中国工程热物理学会 传热传质学 学术会议论文 编号：103002 基底对硅纳米线热导率影响的分子动力学研究 王建强1,2，魏志勇1,2，毕可东1,2，陈敏华1,2，陈云飞1,2,3 ( 1 东南大学机械工程学院 南京 210096 ) ( 2 东南大学江苏省微纳生物医疗器械设计与制造重点实验室 南京 210096 ) ( 3 东南大学MEMS教育部重点实验室 南京 210096 ) （ Tel Email：wjqcc@126.com ） 摘要：采用非平衡态分子动力学模拟的方法研究了硅纳米线平放在基底上的轴向热导率，结果表明基底的存在降低了纳米线的热导率，且随着温度的升高，热导率逐渐降低。通过改变纳米线与基底之间的范德华作用力强度，研究了基底约束对硅纳米线热导率的影响，结果表明，随着作用力强度的增加，纳米线热导率逐渐减小。模拟结果还显示，基底维数的降低能够进一步减小硅纳米线的热导率。 关键词：轴向热导率；纳米线；基底；分子动力学。 Molecular dynamics simulation of the effects of substrate on the thermal conductivity of silicon nanowire Wang Jianqiang1,2 , Wei Zhiyong1,2 , Bi Kedong1,2 , Chen Minhua1,2 , Chen Yunfei1,2,3 ( 1 School of Mechanical Engineering, Southeast University, Nanjing 210096 ) ( 2 Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University, Nanjing 210096 ) ( 3 MEMS Key Laboratory of China Educational Ministry, Southeast University, Nanjing 210096 ) Abstract: The longitudinal thermal conductivity of silicon nanowire on substrate is investigated by non-equilibrium molecular dynamics simulations (NEMD). The results show that the presence of the substrate lowers the thermal conductivity of silicon nanowire, and the thermal conductivity decreases with the increasing temperature. The effects of the substrate on the thermal conductivity of silicon nanowire are also explored by changing the strength of van der Waals interaction between substrate and nanowire. It demonstrates that the thermal conductivity of nanowire decreases with the increase of interaction strength. The present study also shows that lowering the dimension of substrate leads to a reduction in the thermal conductivity of silicon nanowire on it. Keywords: longitudinal thermal conductivity; nanowire ; substrate; molecular dynamics ______________________________ 基金项目：国家自然科学基金资助项目 前言 随着当前电子技术的快速发展，电子器件的特征尺寸已经缩小