Kutana, A. and Giapis, K. P. (2007) Contact angles, ordering, and solidification of liquid mercury in carbon nanotube cavities. Physical Review B, 76 (19). Art. No. 195444. ISSN 1098-0121. doi:10.1103/PhysRevB.76.195444. https://resolver.caltech.edu/CaltechAUTHORS:KUTprb07
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Abstract
Optimized model potentials for mercury-mercury and mercury-carbon interactions are used in molecular dynamics simulations to study wetting and solidification of liquid mercury encapsulated in single-walled carbon nanotubes. The contact angle of mercury in the nanotube cavity increases linearly with wall curvature. The solid-liquid transition becomes less well defined as nanotube diameter decreases, while the melting temperature drops exponentially. A concentric cylindrical-shell structure is predicted for solidified mercury in small (20,20) nanotubes, while a polycrystalline structure appears in larger (40,40) nanotubes.
Item Type: | Article | ||||||
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Additional Information: | © 2007 The American Physical Society. (Received 1 August 2007; published 29 November 2007) This work was based on research supported by NSF (CTS-0508096). | ||||||
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Subject Keywords: | carbon nanotubes; contact angle; liquid metals; liquid theory; melting; mercury (metal); molecular dynamics method; solidification; wetting | ||||||
Issue or Number: | 19 | ||||||
Classification Code: | PACS number�s: 65.80.�n, 02.70.Ns, 64.70.Dv | ||||||
DOI: | 10.1103/PhysRevB.76.195444 | ||||||
Record Number: | CaltechAUTHORS:KUTprb07 | ||||||
Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:KUTprb07 | ||||||
Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||
ID Code: | 9180 | ||||||
Collection: | CaltechAUTHORS | ||||||
Deposited By: | Archive Administrator | ||||||
Deposited On: | 29 Nov 2007 | ||||||
Last Modified: | 08 Nov 2021 20:57 |
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