|
OALib Journal期刊
ISSN: 2333-9721
费用：99美元
|
|
|
|
一维纳米材料导热性能的分子动力学模拟
DOI: 10.3724/SP.J.1037.2010.00164, PP. 1244-1249
Keywords: 非平衡分子动力学,纳米管,热导率
Abstract:
采用基于线性响应理论的非平衡分子动力学模拟方法,通过3体Tersoff势函数描述原子间的相互作用,模拟了C,BN和SiC纳米管的热传导过程.研究了轴向长度、温度和外加拉伸应变等因素对3种纳米管的轴向热导率的影响,并对3种纳米管的导热性能进行了比较.结果表明纳米管的热导率k随着轴向长度L的增加而增加,两者大致呈k∝Lα关系,与求解声子传输方程得到的理论解一致;纳米管的热导率随温度升高而降低;随着轴向拉伸应变的增大,纳米管的热导率有先增加后降低的转变趋势,但3种纳米管的热导率发生转变时对应的拉伸应变不同;相同条件下3种纳米管的热导率从大到小依次为C,BN和SiC.
| [1] | Mensah S Y, Allotey F K A, Nkrumah G, Mensah N G. Physica E,2004;23:152-158
|
| [2] | Chang C W, Han W Q, Zettl A. Appl Phys Lett, 2005,23(5):1883-1886
|
| [3] | Mingo N, Broido D A. Nano Lett,2005;5(7):1221-1225
|
| [4] | Hou Q W, Cao B Y, Guo Z Y. Journal of Engineering Thermophysics,2009;30(7):1207-1209[侯泉文，曹炳阳,过增元.工程热物理学报,2009;30(7):1207-1209]
|
| [5] | Pop E, Mann D, Wang Q, Goodson K, Dai H J. Nano Lett,2006;6(1):96-100
|
| [6] | Yu C, Shi L, Yao Z, Li D Y, Majumdar A. Nano Lett,2005;5(9):1842-1846
|
| [7] | Fujii M, Zhang X, Xie H Q, Ago H, Takahashi K, Ikuta T, Abe H, Shimizu T. Phys Rev Lett,2005;95(6):065502-1-4
|
| [8] | Kim P, Shi L, Majumdar A, Mceuen P L. Phys Rev Lett,2001;8721(21):215502-1-4
|
| [9] | Wang Z L, Tang D W, Li X B, Zheng X H, Zhang W G, Zheng L X, Zhu Y T, Jin A Z, Yang H F, Gu C Z. Appl Phys Lett,2007;91(12):123119-1-3
|
| [10] | Zhang G, Li B W. J Phys Chem B,2005;109(50):23823-23826
|
| [11] | Nanda J, Maranville C, Bollin S C, Sawall D, Ohtani H, Remillard J T, Ginder J M. J Phys Chem C,2008;112(3):654-658
|
| [12] | Mohammad A, Elena A, Michael C B, Florian M P. Nanotechnology,2009;20:115704-1-8
|
| [13] | Florian M P. J Chem Phys,1997;106(14):6082-6085
|
| [14] | Tersoff J. Phys Rev B,1988;37(12):6991-7000
|
| [15] | Karsten A, Wolfhard M. Comput Mater Sci,1998;10(1):111-115
|
| [16] | Hernandez E, Goze C, Bernier P, Rubio A. Phys Rev Lett,1998;80(20):4502-4505
|
| [17] | CAO B Y. Chinese Journal Of Computational Physics,2007;24(4):463-466[曹炳阳.计算物理,2007;24(4):463-466]
|
| [18] | Schelling P K, Phillpot S R, Keblinski P. Phys Rev B,2002;65(14): 144306-1-12
|
| [19] | Huang K. Solid Physics. Beijing:Higher Education Press,1988:145[黄昆著.固体物理学.北京:高等教育出版社,1988:145]
|
| [20] | Tian S G, Shen H J. Journal of Materials Science &Engineering,2009;27(2):213-215[田少岗,沈海军.材料科学与工程学报,2009;27(2):213-215]
|
Full-Text
|
|
Contact Us
service@oalib.com QQ:3279437679 
WhatsApp +8615387084133
|
|
