[1]汪国栋,杨决宽,陈云飞.硅纳米线热传导的分子动力学模拟[J].东南大学学报(自然科学版),2006,36(3):423-426.[doi:10.3969/j.issn.1001-0505.2006.03.019]
 Wang Guodong,Yang Juekuan,Chen Yunfei.Molecular dynamics simulation of thermal conductivity of Si nanowires[J].Journal of Southeast University (Natural Science Edition),2006,36(3):423-426.[doi:10.3969/j.issn.1001-0505.2006.03.019]
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硅纳米线热传导的分子动力学模拟()
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《东南大学学报(自然科学版)》[ISSN:1001-0505/CN:32-1178/N]

卷:
36
期数:
2006年第3期
页码:
423-426
栏目:
计算机科学与工程
出版日期:
2006-05-20

文章信息/Info

Title:
Molecular dynamics simulation of thermal conductivity of Si nanowires
作者:
汪国栋1 杨决宽1 陈云飞12
1 东南大学机械工程学院, 南京 210096; 2 东南大学MEMS教育部重点实验室, 南京 210096
Author(s):
Wang Guodong1 Yang Juekuan1 Chen Yunfei12
1 College of Mechanical Engineering, Southeast University, Nanjing 210096, China
2 Key Laboratory of MEMS of Ministry of Education, Southeast University, Nanjing 210096, China
关键词:
导热系数 纳米线 分子动力学模拟
Keywords:
thermal conductivity nanowires molecular dynamics simulation
分类号:
TP311
DOI:
10.3969/j.issn.1001-0505.2006.03.019
摘要:
采用非平衡态分子动力学方法模拟了硅纳米线的热传导性能,并对其主要影响因素作了分析.模拟结果表明:在相同的温度区间(800~1 500 K)内截面形状为正方形的纳米线的导热系数要比体态硅小2个量级,且随着温度的上升,导热系数随之下降; 当模拟温度固定时,导热系数随着纳米线长度的增加而增加,并趋于一个收敛值; 同时当纳米线的截面面积增加时,导热系数也随之增加; 当纳米线表面存在缺陷时,其热传导系数小于无缺陷纳米线的值.
Abstract:
Nonequilibrium molecular dynamics simulation method is used to calculate the thermal conductivity of Si nanowires.The simulated thermal conductivities of nanowires with square sections are found to be about two order of magnitude smaller than those of bulk Si in a wide range of temperatures(800-1 500 K), and with the increase of temperature, the thermal conductivities decrease. It is also demonstrated that the thermal conductivity increases with increasing length of the wire and becomes length independent when the wire is longer than 14 unit cell. The thermal conductivity also increases with increasing cross-section area of the wire. The surface defects decrease the nanowire’s energy transport capability.

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备注/Memo

备注/Memo:
基金项目: 国家自然科学基金资助项目(20276011,50275026).
作者简介: 汪国栋(1981—),男,硕士生; 陈云飞(联系人),男,博士,教授,博士生导师,yunfeichen@seu.edu.cn.
更新日期/Last Update: 2006-05-20