A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon
文献类型：期刊论文
| 作者 | Tang QH(汤奇恒)
|
| 刊名 | Molecular Physics
 |
| 出版日期 | 2004 |
| 卷号 | 102期号:18页码:1959-1964 |
| 通讯作者邮箱 | qhtang@lnm.imech.ac.cn |
| ISSN号 | 0026-8976 |
| 通讯作者 | Tang, QH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100080, Peoples R China. |
| 中文摘要 | Non-equilibrium molecular dynamics (NEMD) simulations are performed to calculate thermal conductivity. The environment-dependent interatomic potential (EDIP) potential on crystal silicon is adopted as a model system. The issues are related to nonlinear response, local thermal equilibrium and statistical averaging. The simulation results by non-equilibrium molecular dynamics show that the calculated thermal conductivity decreases almost linearly as the film thickness reduced at the nanometre scale. The effect of size on the thermal conductivity is also obtained by a theoretic analysis of the kinetic theory and formulas of the heat capacity. The analysis reveals that the contributions of phonon mean free path (MFP) and phonon number in a finite cell to thermal conductivity are very important. |
| 学科主题 | 力学 |
| 类目[WOS] | Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Physics |
| 关键词[WOS] | THIN-FILMS ; KAPITZA RESISTANCE ; TRANSPORT ; SCATTERING ; PHASES ; ORDER |
| 收录类别 | SCI ; EI |
| 语种 | 英语 |
| WOS记录号 | WOS:000225405100008 |
| 公开日期 | 2007-06-15 ; 2007-12-05 ; 2009-06-23 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/17658]  |
| 专题 | 力学研究所_力学所知识产出(1956-2008) |
| 推荐引用方式 GB/T 7714 | Tang QH. A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon[J]. Molecular Physics,2004,102(18):1959-1964. |
| APA | 汤奇恒.(2004).A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon.Molecular Physics,102(18),1959-1964. |
| MLA | 汤奇恒."A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon".Molecular Physics 102.18(2004):1959-1964. |
入库方式： OAI收割
来源：力学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。