A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon

doi:10.1080/00268970412331292777

IMECH-IR > 力学所知识产出(1956-2008)

	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.
发表期刊	Molecular Physics
	2004
卷号	102 期号:18 页码:1959-1964
ISSN	0026-8976
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.
学科领域	力学
DOI	10.1080/00268970412331292777
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000225405100008
关键词[WOS]	THIN-FILMS ; KAPITZA RESISTANCE ; TRANSPORT ; SCATTERING ; PHASES ; ORDER
WOS研究方向	Physics
WOS类目	Physics, Atomic, Molecular & Chemical
引用统计	被引频次：25[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/17658
专题	力学所知识产出(1956-2008)
通讯作者	Tang, QH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100080, Peoples R China.
推荐引用方式 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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