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Title: Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation
Author: Yuan, Kunpeng1; Sun, Mingman1; Wang, Zhaoliang1; Tang, Dawei1, 2
Source: INTERNATIONAL JOURNAL OF THERMAL SCIENCES
Issued Date: 2015-12-01
Volume: 98, Pages:24-31
Keyword: Thermal rectification ; Molecular dynamics ; Graphene ; Silicon-functionalized
DOI: 10.1016/j.ijthermalsci.2015.07.004
DOC Type: Article
English Abstract: 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 Headings: Science & Technology ; Physical Sciences ; Technology
WOS Subject: Thermodynamics ; Engineering, Mechanical
WOS Subject Extended: Thermodynamics ; Engineering
WOS Keyword Plus: CONDUCTIVITY ; HEAT
Indexed Type: SCI
Funder: National Natural Science Foundation of China(51176205 ; U1262112)
Language: 英语
WOS ID: WOS:000364896300002
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Content Type: 期刊论文
URI: http://ir.etp.ac.cn/handle/311046/112303
Appears in Collections:中国科学院工程热物理所(论文库)_期刊论文(SCI)

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description.institution: 1.China Univ Petr, Energy & Power Dept, Qingdao 266580, Peoples R China
2.Chinese Acad Sci, Inst Engn Thermophys, Beijing 100081, Peoples R China
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