Mukherjee, Biswaroop and Maiti, Prabal K and Dasgupta, Chandan and Sood, AK (2009) Reorientation of Water Inside Carbon Nanorings by Large Angular Jumps. In: Journal of Nanoscience and Nanotechnology, 9 (9). pp. 5303-5306.
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Abstract
Molecular dynamics simulations of the orientational dynamics of water molecules confined inside narrow carbon nanorings reveal that reorientational relaxation is mediated by large amplitude angular jumps. The distribution of waiting time between jumps peaks at about 60 fs, and has a slowly decaying exponential tail with a timescale of about 440 fs. These time scales are much faster than the mean waiting time between jumps of the water molecules in bulk.
| Item Type: | Journal Article |
|---|---|
| Publication: | Journal of Nanoscience and Nanotechnology |
| Publisher: | American Scientific Publishers |
| Additional Information: | Copyright of this article belongs to American Scientific Publishers. |
| Keywords: | MD Simulation;Carbon Nanoring;Orientational Dynamics. |
| Department/Centre: | Division of Physical & Mathematical Sciences > Physics |
| Date Deposited: | 21 Dec 2009 11:43 |
| Last Modified: | 21 Dec 2009 11:43 |
| URI: | http://eprints.iisc.ac.in/id/eprint/23263 |
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