[1]杨决宽,唐明兵,钱瑞明,等.晶格失配对超晶格法向导热系数影响的分子动力学模拟[J].东南大学学报(自然科学版),2006,36(3):427-430.[doi:10.3969/j.issn.1001-0505.2006.03.020]
　Yang Juekuan,Tang Mingbing,Qian Ruiming,et al.Molecular dynamics simulation of the influence of lattice mismatch on cross-plane superlattice thermal conductivity[J].Journal of Southeast University (Natural Science Edition),2006,36(3):427-430.[doi:10.3969/j.issn.1001-0505.2006.03.020]
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晶格失配对超晶格法向导热系数影响的分子动力学模拟()
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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:
427-430
栏目:
能源与动力工程
出版日期:
2006-05-20

文章信息/Info

Title:
Molecular dynamics simulation of the influence of lattice mismatch on cross-plane superlattice thermal conductivity
作者:
杨决宽1;  唐明兵1;  钱瑞明1;  陈云飞1; 2
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):
Yang Juekuan1;  Tang Mingbing1;  Qian Ruiming1;  Chen Yunfei1; 2
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;  超晶格;  晶格失配;  分子动力学
Keywords:
thermal conductivity;  superlattice;  lattice mismatch;  molecular dynamics
分类号:
TK124
DOI:
10.3969/j.issn.1001-0505.2006.03.020
摘要:
采用非平衡态分子动力学方法模拟了超晶格的法向导热系数随周期长度的变化关系.模拟结果表明,在晶格匹配的超晶格中,当周期长度同声子平均自由程相当时,超晶格导热系数将出现最小值.而对于具有4%晶格失配的超晶格模拟结果却表明,超晶格导热系数随周期长度的增大而单调上升.这一研究结果表明,材料的晶格失配是大多数实验研究中没有发现超晶格最小导热系数的主要原因.
Abstract:
The dependence of superlattice thermal conductivity on period length is investigated by nonequilibrium molecular dynamics simulation. For perfectly lattice-matched superlattices, a minimum thermal conductivity is observed when the period length is of the order of the effective phonon mean free path. However, the simulation results of the superlattice with 4% lattice mismatch show that the thermal conductivity increases monotonically with the period length. These results indicate that lattice mismatch is the main reason why minimum thermal conductivity has not been observed in a large number of experimental studies.

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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(50475077, 50506008)、江苏省自然科学基金资助项目(BK2005063).
作者简介: 杨决宽(1972—),男,博士,讲师, yangjk@seu.edu.cn.
更新日期/Last Update: 2006-05-20