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FULLERENE LAYERS BETWEEN GRAPHITE WALLS - COMPUTER SIMULATION |
Michał Skrzypek 1, Zygmunt Gburski |
1. University of Silesia, Katowice, Poland |
Abstract |
The properties of ultra-thin fullerene layers, located between graphite plains, have been studied using the molecular dynamics (MD) technique. In this ensemble we have a competition between the energetic gain from the molecule-molecule versus molecule-graphite wall interactions. It appears that the confined fullerenes form the ultra-lubricated system. The mean square displacement, velocity autocorrelation function and radial distribution function of fullerene molecules have been calculated for several temperatures and a range of distances between graphite walls. |
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Presentation: poster at E-MRS Fall Meeting 2004, Symposium H, by Michał SkrzypekSee On-line Journal of E-MRS Fall Meeting 2004 Submitted: 2004-04-29 16:32 Revised: 2009-06-08 12:55 |