Dynamical properties of C-60(H2O)(50) mixture cluster. Molecular dynamics simulation

Dawid, A.; Sokol, M.; Gburski, Z.

Artykuł - szczegóły

Tytuł artykułu

Dynamical properties of C-60(H2O)(50) mixture cluster. Molecular dynamics simulation

Autorzy

Dawid A. , Sokol M. , Gburski Z.

Wybrane pełne teksty z tego czasopisma

Identyfikatory

Warianty tytułu

Konferencja

E-MRS 2004 Fall Meeting Warsaw, Poland , 6-10 September,2004

Języki publikacji

Abstrakty

A small cluster composed of fifty water molecules evenly spread out over the surface of fullerene (C-60) has been studied by the MD simulation. The radial distribution function and velocity autocorrelation functions ( linear and angular) of water molecules have been calculated. Both the solid and liquid phases of a water layer surrounding the fullerene molecule have been investigated. The simulation suggests that a plastic phase ( active rotations and frozen translations of water molecules) of such a specific, ultrathin water layer develops at a low temperature, T < 22 K.

Słowa kluczowe

water molecular dynamics simulation thin layer confined water

Wydawca

De Gruyter

Czasopismo

Materials Science Poland

Rocznik

2005

Tom

Vol. 23, No. 2

Strony

421--427

Opis fizyczny

Bibliogr. 15 poz.

Twórcy

autor

Dawid A.

Silesian Univ, Inst Phys, Uniwersytecka 4, PL-40007 Katowice, Poland

autor

Sokol M.

autor

Gburski Z.

Bibliografia

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Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-article-BPW7-0002-0038