Paper Title:
A Titanium-Decorated Fullerene Cluster – A Molecular Dynamics Simulation
  Abstract

A small titanium-decorated fullerene cluster (C60[TiH2]6)7 was studied by MD simulation over a wide range of energy, from the solid state to the vaporization of the nanosystem. The low energy, solid state structure of the cluster was obtained as a deformed pentagonal bipyramid. Several physical characteristics: the radial distribution function, the mean square displacement, the translational velocity autocorrelation function, translational diffusion coefficient, Lindemann index, etc., were calculated for a wide range of energy in the system.

  Info
Periodical
Solid State Phenomena (Volume 140)
Edited by
Witold Łojkowski and John R. Blizzard
Pages
109-116
DOI
10.4028/www.scientific.net/SSP.140.109
Citation
A. Piątek, R. Nowak, Z. Gburski, "A Titanium-Decorated Fullerene Cluster – A Molecular Dynamics Simulation", Solid State Phenomena, Vol. 140, pp. 109-116, 2008
Online since
October 2008
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