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contributor authorTarek Ragab
contributor authorCemal Basaran
date accessioned2017-05-09T00:43:10Z
date available2017-05-09T00:43:10Z
date copyrightJune, 2011
date issued2011
identifier issn1528-9044
identifier otherJEPAE4-26313#020903_1.pdf
identifier urihttp://yetl.yabesh.ir/yetl/handle/yetl/145798
description abstractThe unravelling of (10, 10) and (18, 0) single-walled carbon nanotubes (SWCNTs) is simulated using molecular dynamics simulations at different temperatures. Two different schemes are proposed to simulate the unravelling; completely restraining the last atom in the chain and only restraining it in the axial direction. The forces on the terminal atom in the unravelled chain in the axial and radial directions are reported till the separation of the atomic chain from the carbon nanotube structure. The force-displacement relation for a chain structure at different temperatures is calculated and is compared to the unravelling forces. The axial stresses in the body of the carbon nanotube are calculated and are compared to the failure stresses of that specific nanotube. Results show that the scheme used to unravel the nanotube and the temperature can only effect the duration needed before the separation of some or all of the atomic chain from the nanotube, but does not affect the unravelling forces. The separation of the atomic chain from the nanotube is mainly due to the impulsive excessive stresses in the chain due to the addition of a new atom and rarely due to the steady stresses in the chain. From the simulations, it is clear that the separation of the chain will eventually happen due to the closing structure occurring at the end of the nanotube that would not be possible in multiwalled nanotubes.
publisherThe American Society of Mechanical Engineers (ASME)
titleThe Unravelling of Open-Ended Single Walled Carbon Nanotubes Using Molecular Dynamics Simulations
typeJournal Paper
journal volume133
journal issue2
journal titleJournal of Electronic Packaging
identifier doi10.1115/1.4003866
journal fristpage20903
identifier eissn1043-7398
keywordsForce
keywordsTemperature
keywordsAtoms
keywordsStress
keywordsCarbon nanotubes
keywordsDisplacement
keywordsFailure
keywordsNanotubes
keywordsSingle-walled carbon nanotubes
keywordsMolecular dynamics simulation
keywordsChain
keywordsEngineering simulation AND Carbon
treeJournal of Electronic Packaging:;2011:;volume( 133 ):;issue: 002
contenttypeFulltext


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