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Smith, W., Forester, T.R. and Todorov, I.T. (2008) The DL poly 2 user manual. Version 2.19, STFC Daresbury Laboratory Daresbury, Warrington WA4 4AD Cheshire, UK.
has been cited by the following article:
TITLE: Molecular dynamics simulations of the interaction of carbon nanotube and a carbon disulfide solvent
AUTHORS: Kholmirzo Kholmurodov, Guzel Aru, Kenji Yasuoka
KEYWORDS: Molecular Dynamics; Carbon Nanotube; Carbon Disulfide Solvent
JOURNAL NAME: Natural Science, Vol.2 No.8, August 25, 2010
ABSTRACT: An analysis of the molecular dynamics (МD) of the interaction between a carbon nanotube (CNT) and a carbon disulfide active solvent (CS2) has been carried out. The aim of the present work is to estimate the dynamical and structural behavior of the CNTCS2 system at different relative atomic concentrations and under temperature changes. The structural radial distribution functions and the dynamical configurations have been built for a CNT interacting with a CS2 solvent. A nontrivial observation for the CNTCS2 system is that the solvent carbon disulfide atoms make up a patterned (layered) formation around the carbon nanotube.
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