Rev.Adv.Mater.Sci. (RAMS)
No 2, Vol. 23, 2010, pages 160-163

TiH2 ATOMIC GROUP DECORATED FULLERENE NANOSYSTEM COMPUTER SIMULATION STUDY

A. Piątek and Z. Gburski

Abstract

A TiH2 - decorated fullerene nanosystem (C60[TiH2]6)7 has been studied by an MD simulation. The mean square displacement, the angular and linear velocity autocorrelation function, the Lindemann index, etc., have been calculated. A comparison of the calculated physical variables of a titanium-decorated fullerene cluster with their counterparts of a pure fullerene cluster (C60)7 is presented.

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