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Contact angles, ordering, and solidification of liquid mercury in carbon nanotube cavities

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.

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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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Giapis, K. P.0000-0002-7393-298X
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).
Funding AgencyGrant Number
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
Record Number:CaltechAUTHORS:KUTprb07
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:9180
Deposited By: Archive Administrator
Deposited On:29 Nov 2007
Last Modified:08 Nov 2021 20:57

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