Structural and dynamic properties of water confined inside a single-walled carbon nanotube - Molecular dynamics study

• Autorzy: Kosmider M. , Sokol M. , Dendzik Z. , Gburski Z.
• Konferencja: E-MRS 2004 Fall Meeting Warsaw, Poland , 6-10 September,2004
• Języki publikacji: EN

Abstrakty

EN

Atomically detailed molecular dynamics simulation has been performed to study structural and dynamical properties of the cluster of water molecules (H2O)(80) confined inside an open-ended single-walled (10,10) carbon nanotube (SWNT). The structural and dynamical properties of the confined cluster have been compared with the analogous results for an unconfined cluster of water molecules.

Słowa kluczowe

EN

nanotube; water cluster; molecular dynamics; structural properties; dynamic properties

• Wydawca: De Gruyter
• Czasopismo: Materials Science Poland
• Rocznik: 2005
• Tom: Vol. 23, No. 2
• Strony: 475--481
• Opis fizyczny: Bibliogr. 25 poz.

Twórcy

autor

Kosmider M.

• Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland

autor

Sokol M.

• Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland

autor

Dendzik Z.

• Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland

autor

Gburski Z.

• Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland

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