@article{ISI:000245790100020,
 abstract = {We have performed atomistic molecular dynamics (MD) simulations of water
molecules inside narrow, open-ended carbon nanotubes placed in a bath of
water molecules. The radius of the tube is such that only a single file
of water molecules is allowed inside the tube. The confined water
molecules are shown to be positionally ordered even at a temperature of
300 K. The calculated mean-square displacement (MSD) of the confined
water molecules reveals that initially the water molecules undergo
ballistic motion that crosses over to normal (Fickian) diffusion at
longer times. We also develop a random-walk model in 1 D for the motion
of a cluster of water molecules inside the nanotube. The agreement of
the MSD calculated from the MD simulation and from the 1D random-walk
model establishes the occurrence of normal diffusion of water molecules
even in a tube where single-file diffusion is expected.},
 author = {Mukherjee, Biswaroop and Maiti, Prabal K. and Dasgupta, Chandan and
Sood, A. K.},
 doi = {10.1166/jnn.2007.718},
 eissn = {1533-4899},
 issn = {1533-4880},
 journal = {JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY},
 month = {JUN},
 note = {International Conference on Nano Science and Technology (ICONSAT 2006),
New Delhi, INDIA, MAR 16-18, 2006},
 number = {6, SI},
 orcid-numbers = {Maiti, Prabal/0000-0002-9956-1136
Dasgupta, Chandan/0000-0002-0302-1881},
 pages = {1796-1799},
 researcherid-numbers = {Maiti, Prabal/B-6335-2009
},
 times-cited = {11},
 title = {Structure and dynamics of confined water inside narrow carbon nanotubes},
 unique-id = {ISI:000245790100020},
 volume = {7},
 year = {2007}
}