Mukherjee, Biswaroop ; Maiti, Prabal K. ; Dasgupta, Chandan ; Sood, A. K. (2009) Reorientation of water inside carbon nanorings by large angular jumps Journal of Nanoscience and Nanotechnology, 9 (9). pp. 5303-5306. ISSN 1533-4880
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Official URL: http://www.ingentaconnect.com/search/article?optio...
Related URL: http://dx.doi.org/10.1166/jnn.2009.1124
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: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Scientific Publishers. |
| Keywords: | MD Simulation; Carbon Nanoring; Orientational Dynamics |
| ID Code: | 54808 |
| Deposited On: | 12 Aug 2011 12:52 |
| Last Modified: | 12 Jul 2012 06:34 |
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