Knowledge Management System of Institue of Mechanics, CAS
| A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon | |
Tang QH(汤奇恒) ; Tang, QH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100080, Peoples R China.
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| Source Publication | Molecular Physics
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| 2004 | |
| Volume | 102Issue:18Pages:1959-1964 |
| ISSN | 0026-8976 |
| Abstract | 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. |
| Subject Area | 力学 |
| DOI | 10.1080/00268970412331292777 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000225405100008 |
| WOS Keyword | THIN-FILMS ; KAPITZA RESISTANCE ; TRANSPORT ; SCATTERING ; PHASES ; ORDER |
| WOS Research Area | Physics |
| WOS Subject | Physics, Atomic, Molecular & Chemical |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/17658 |
| Collection | 力学所知识产出(1956-2008) |
| Corresponding Author | Tang, QH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100080, Peoples R China. |
| Recommended Citation GB/T 7714 | Tang QH,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,&Tang, QH .(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,et al."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. |
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