Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Title:
Structures of water molecular nanotube induced by axial tensile strains
Authors:
Li, H; Zhang, XQ; Liew, KM; Liu, XF
Author Full Names:
Li, H.; Zhang, X. Q.
Source:
PHYSICS LETTERS A 372 (41): 6288-6293 OCT 6 2008
Language:
English
Document Type:
Article
Author Keywords:
Carbon nanotube; Ice nanotube; Stretching
Keywords Plus:
CARBON NANOTUBES; ICE NANOTUBES; DYNAMICS; CHANNEL
Abstract:
Five well-ordered nano-ice structures embedded in carbon nanotubes are obtained in this study. These five nano-ice phases all exhibit single walled tubular morphologies, including the pentagon, hexagon ice nanotubes whose structures are quite different from bulk ice. Our simulation results indicate that water molecules tend to rearrange into surface ring structures to reduce the number of free OH groups. The structural behavior of these ice nanotubes inside CNTs subject to axial stress is also investigated. The ice nanotubes tend to be drawn to ice nanorings or ice nanospring during the mechanical stretching. The distribution function exhibits typical order-to-disorder transition of the water network confined in carbon nanotube during the stretching. By analysis, we suggest that it is unlikely that additional water molecules will enter the tubes because of the increased volume available if the tubes are stretched at contact with a water reservoir. (C) 2008 Elsevier B.V. All !
rights reserved.
Reprint Address:
Li, H, Shandong Univ, Sch Mat Sci & Engn, Minist Educ, Key Lab Liquid Struct & Hered Mat, Jinan, Peoples R China.
Research Institution addresses:
Shandong Univ, Sch Mat Sci & Engn, Minist Educ, Key Lab Liquid Struct & Hered Mat, Jinan, Peoples R China; Ocean Univ China, Dept Phys, Qingdao, Peoples R China; City Univ Hong Kong, Dept Bldg & Construct, Kowloon, Hong Kong, Peoples R China
E-mail Address:
lihuilmy@hotmail.com
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Cited Reference Count:
30
Times Cited:
0
Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Subject Category:
Physics, Multidisciplinary
ISSN:
0375-9601
DOI:
10.1016/j.physleta.2008.08.038
IDS Number:
363CA
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