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MOLECULAR DYNAMICS STUDY OF SOLID AND LIQUID PHASE OF (C60)Ar44 MIXTURE CLUSTER

Michał Skrzypek 1Aleksander Dawid Zygmunt Gburski 

1. University of Silesia, Katowice, Poland

Abstract

The particle near rough surface exhibits different dynamical properties than near featureless surface. In this work we have studied the solid and liquid phases and phase transition in Ar44 thin layer covered C60 surface. The interaction is taken to be Lennard-Jones site-to-site potential.. We have calculated the mean square displacement, Lindemann index and velocity autocorrelation function of argon atoms. The phase transition (melting) between solid and liquid phase of confined argon film has been detected.

 

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Presentation: poster at E-MRS Fall Meeting 2004, Symposium H, by Michał Skrzypek
See On-line Journal of E-MRS Fall Meeting 2004

Submitted: 2004-04-30 09:24
Revised:   2009-06-08 12:55