Vibrations of atoms in the argon cluster surrounding a single-walled carbon nanotube—MD study

We have performed atomically detailed molecular dynamics simulation of the system composed of an argon cluster ( n=110, 250, 560) forming a film which surrounds a single-walled (10,10) carbon nanotube. Opposite to the recent finding in the system of a fullerene covered with spherical argon film [J....

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Bibliographic Details
Published inJournal of molecular structure Vol. 704; no. 1; pp. 203 - 209
Main Authors Dendzik, Z, Kośmider, M, Skrzypek, M, Gburski, Z
Format Journal Article
LanguageEnglish
Published Elsevier B.V 18.10.2004
Subjects
Argon cluster
Molecular dynamics
Nanotube
Molecular dynamics
Nanotube
Argon cluster
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Summary:We have performed atomically detailed molecular dynamics simulation of the system composed of an argon cluster ( n=110, 250, 560) forming a film which surrounds a single-walled (10,10) carbon nanotube. Opposite to the recent finding in the system of a fullerene covered with spherical argon film [J. Phys.: Condens. Matter 15 (2003) 2399], we have found no liquid-like phase in this system. Instead, movements of the argon atoms are found to be well localized in the whole range of temperatures in which the cluster retains its integrity. The vibrational modes of the argon atoms belonging to different layers of the cluster are analyzed.
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2004.02.051