The Kapitza Resistance across Grain Boundary by Molecular Dynamics Simulation

doi:10.1080/15567260601009239

IMECH-IR > 力学所知识产出(1956-2008)

	The Kapitza Resistance across Grain Boundary by Molecular Dynamics Simulation
	Tang QH(汤奇恒); Yao YG(姚裕贵); Tang, QH (reprint author), Chinese Acad Sci, State Key Lab Nonlinear Mech, Inst Mech, 15 Beisihuanxi Rd, Beijing 100080, Peoples R China.
发表期刊	Nanoscale and Microscale Thermophysical Engineering
	2006
卷号	10 期号:4 页码:387-398
ISSN	1556-7265
摘要	Nonequilibrium molecular dynamics (NEMD) simulations are performed to calculate thermal boundary resistance that arises from heat flow across Si grain boundary. The environment-dependent interatomic potential (EDIP) on crystal silicon is adopted as a model system. The issues are related to nonlinear response, local thermal equilibrium, and statistical averaging. The tilt grain boundaries Sigma 5 and Sigma 13 are simulated, and the values of thermal boundary resistance by nonequilibrium molecular dynamics are compared with those by Maid et al. (Solid State Communications, vol. 102, 1997). Using the disperse relation of EDIP potential, an average transmission coefficient of thermal conductivity across boundary is calculated.
学科领域	微机电系统中的固体力学问
DOI	10.1080/15567260601009239
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000243359100007
关键词[WOS]	THERMAL-CONDUCTIVITY ; THIN-FILMS ; PHONON-SCATTERING ; SILICON ; TRANSPORT ; PHASES ; ORDER
WOS研究方向	Thermodynamics ; Engineering ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Thermodynamics ; Engineering, Mechanical ; Nanoscience & Nanotechnology ; Materials Science, Characterization & Testing ; Physics, Applied
引用统计	被引频次：4[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/311007/15570
专题	力学所知识产出(1956-2008)
通讯作者	Tang, QH (reprint author), Chinese Acad Sci, State Key Lab Nonlinear Mech, Inst Mech, 15 Beisihuanxi Rd, Beijing 100080, Peoples R China.
推荐引用方式 GB/T 7714	Tang QH,Yao YG,Tang, QH . The Kapitza Resistance across Grain Boundary by Molecular Dynamics Simulation[J]. Nanoscale and Microscale Thermophysical Engineering,2006,10,4,:387-398.
APA	汤奇恒,姚裕贵,&Tang, QH .(2006).The Kapitza Resistance across Grain Boundary by Molecular Dynamics Simulation.Nanoscale and Microscale Thermophysical Engineering,10(4),387-398.
MLA	汤奇恒,et al."The Kapitza Resistance across Grain Boundary by Molecular Dynamics Simulation".Nanoscale and Microscale Thermophysical Engineering 10.4(2006):387-398.

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