Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation

CORC > 工程热物理研究所 > 中国科学院工程热物理研究所 > 中国科学院工程热物理所（论文库） > 期刊论文（SCI）

	Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation
	Yuan, Kunpeng 1; Sun, Mingman 1; Wang, Zhaoliang 1; Tang, Dawei 1,2
刊名	INTERNATIONAL JOURNAL OF THERMAL SCIENCES
	2015-12-01
卷号	98 页码:24-31
关键词	Thermal rectification Molecular dynamics Graphene Silicon-functionalized
英文摘要	In this paper, we investigate thermal rectification in hybrid pristine and silicon-functionalized graphene nanoribbons (GNRs) using nonequilibrium molecular dynamics simulations. The heat flux is larger from the functionalized section to the pristine section than that in the opposite direction. It is found that thermal rectification can be tuned through the Si/C ratio and silicon distribution. A moderate Si/C ratio and patterned arrangement are preferable to obtain a higher rectification factor. The rectification factor is also sensitive to the temperature difference and the mean temperature. As the length of the system increases, the rectification factor decreases gradually due to the emerging of diffusive effect in nanoscale GNRs. Furthermore, we calculate the vibrational density of states to explain the underlying mechanism of thermal rectification. (C) 2015 Elsevier Masson SAS. All rights reserved.
WOS标题词	Science & Technology ; Physical Sciences ; Technology
类目[WOS]	Thermodynamics ; Engineering, Mechanical
研究领域[WOS]	Thermodynamics ; Engineering
关键词[WOS]	CONDUCTIVITY ; HEAT
收录类别	SCI
语种	英语
WOS记录号	WOS:000364896300002
公开日期	2016-03-15
内容类型	期刊论文
源URL	[http://ir.etp.ac.cn/handle/311046/112303]
专题	工程热物理研究所_中国科学院工程热物理所（论文库）_期刊论文（SCI）
作者单位	1.China Univ Petr, Energy & Power Dept, Qingdao 266580, Peoples R China 2.Chinese Acad Sci, Inst Engn Thermophys, Beijing 100081, Peoples R China
推荐引用方式 GB/T 7714	Yuan, Kunpeng,Sun, Mingman,Wang, Zhaoliang,et al. Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation[J]. INTERNATIONAL JOURNAL OF THERMAL SCIENCES,2015,98:24-31.
APA	Yuan, Kunpeng,Sun, Mingman,Wang, Zhaoliang,&Tang, Dawei.(2015).Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation.INTERNATIONAL JOURNAL OF THERMAL SCIENCES,98,24-31.
MLA	Yuan, Kunpeng,et al."Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation".INTERNATIONAL JOURNAL OF THERMAL SCIENCES 98(2015):24-31.