ISSN:
1662-9779
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Physics
Notes:
A small titanium-decorated fullerene cluster (C60[TiH2]6)7 was studied by MDsimulation 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 pentagonalbipyramid. Several physical characteristics: the radial distribution function, the mean squaredisplacement, the translational velocity autocorrelation function, translational diffusion coefficient,Lindemann index, etc., were calculated for a wide range of energy in the system
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/24/transtech_doi~10.4028%252Fwww.scientific.net%252FSSP.140.109.pdf
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