Molecular dynamics

Produced by Keith Beardmore Click on the links or thumbnails below to download the full-size pictures.
This first set of pictures are rayshaded visualisations of Buckminsterfullerene interactions with bare and hydrogenated silicon surfaces. The atomic positions were calculated via Molecular Dynamics Simulation.

250eV C60 at 80 degrees to normal on bare Si{100}(2x1) after 100fs	250eV C60 at 80 degrees to normal on 1ML-H Si{100}(2x1) after 200fs	250eV C60 at 80 degrees to normal on 2ML-H Si{100}(1x1) after 100fs	100eV C60 normally incident on bare Si{100}(2x1) after 100fs	100eV C60 normally incident on 1ML-H Si{100}(2x1) after 400fs	150eV C60 at 55 degrees to normal on bare Si{100}(2x1) after 100fs
The second set of pictures are rayshaded visualisations of various static & dynamic molecular simulations.

Minumim energy structure of H2C60	1 keV C60 at 30 degrees to normal on Si{111} after 800fs	Geodesic cage structure of C60	Side view of a chain-fold at the surface of a polyethylene crystal	Surface of a polyethylene crystal	15 keV C60 incident at 30 degrees to normal on Graphite
Producing the pictures These images were produced using the public-domain raytracing package Rayshade. Atoms are drawn as spheres, with radius corresponding to their atomic radius. Atoms may be coloured according to their type & kinetic, potential or total energy.

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Producing the pictures