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	Mechanical property of carbon nanotubes with intramolecular junctions: Molecular dynamics simulations
	Qin, Zhao ; Qin, Qing-Hua ; Feng, Xi-Qiao
	2010-10-12 ; 2010-10-12
关键词	Carbon nanotube Intramolecular junction Molecular dynamics simulation Mechanical property COMPOSITES FRACTURE TENSION GROWTH WATER Physics, Multidisciplinary
中文摘要	Intramolecular junctions (IMJs) of carbon nanotubes hold a promise of potential applications in nanoelectromechanical systems. However, their structure-property relation is still unclear. Using the revised second-generation Tersoff-Brenner potential, molecular dynamics simulations were performed to study the mechanical properties of single-walled to four-walled carbon nanotubes with IMJs under uniaxial tension. The dependence of deformation and failure behaviors of IMJs on the geometric parameters was examined. It was found that the rupture strength of a junction is close to that of its thinner carbon nanotube segment, and the rupture strain and Young's modulus show a significant dependence on its geometry. The simulations also revealed that the damage and rupture of multi-walled carbon nanotube junctions take place first in the innermost layer and then propagate consecutively to the outer layers. This study is helpful for optimal design and safety evaluation of IMJ-based nanoelectronics. (C) 2008 Elsevier B.V. All rights reserved.
语种	英语 ; 英语
出版者	ELSEVIER SCIENCE BV ; AMSTERDAM ; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/79206]
专题	清华大学
推荐引用方式 GB/T 7714	Qin, Zhao,Qin, Qing-Hua,Feng, Xi-Qiao. Mechanical property of carbon nanotubes with intramolecular junctions: Molecular dynamics simulations[J],2010, 2010.
APA	Qin, Zhao,Qin, Qing-Hua,&Feng, Xi-Qiao.(2010).Mechanical property of carbon nanotubes with intramolecular junctions: Molecular dynamics simulations..
MLA	Qin, Zhao,et al."Mechanical property of carbon nanotubes with intramolecular junctions: Molecular dynamics simulations".(2010).

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