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Radial stability and configuration transition of carbon nanotubes regulated by enclosed cores
Author(s) -
Yonggang Zheng,
Haitang He,
Hongfei Ye
Publication year - 2015
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.4921889
Subject(s) - carbon nanotube , materials science , stability (learning theory) , chemical physics , nanotechnology , carbon fibers , drug delivery , molecular dynamics , molecular physics , composite material , chemistry , computational chemistry , machine learning , composite number , computer science
The radial stability and configuration transition of carbon nanotubes (CNTs) with enclosed cores have been studied in this paper by using atomistic simulations. We found that an abnormal transition of CNTs from open to collapse can be regulated by enclosing deformable and rigid cores. The energy barrier for the configuration transition can be reduced by nearly one order of magnitude due to the presence of these cores, i.e., from ∼0.3 eV/Å to ∼0.03 eV/Å. These findings may provide guidance for the design of controllable CNT-based carrier systems for the delivery of drug, gene and fluid

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