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Gallery of Molecular Artwork
by Keith Beardmore
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Keith Beardmore is a research scientist with the Computational Materials Group, Motorola Semiconductor Products Sector.His principal interests are in the area of computational materials modeling, with emphasis on investigation of `real world' problems, i.e., problems of experimental or industrial interest. Modeling is conducted on the atomic scale, using variants of the methods of classical and ab-initio molecular dynamics (MD) simulation. Such simulations are complex and computationally expensive. His research is divided between the development of empirical models of atomic interactions, and the realization of these models as computer programs. Much of this research is devoted to developing and coding efficient algorithms to reduce computational overhead, whilst maintaining a realistic system description.
Current research is focused on modeling radiation effects in materials.
This is directly related to materials problems of importance to the semiconductor industry. Topics include; modeling of dopant implants in silicon, energetics of defects, behavior of polymer resists subject to ion implant, the interaction of clusters with surfaces, radiation damage thresholds, and irradiation induced stress creation and relaxation in thin films. |
Rayshaded visualisation of Buckminsterfullerene interactions with bare and hydrogenated silicon surfaces. The atomic positions were calculated via Molecular Dynamics Simulation.
150eV C60 at 55 degrees to normal on bare Si{100}(2x1) after 100fs
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Rayshaded visualisation 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
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Rayshaded visualisation 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 1ML-H Si{100}(2x1) after 200fs
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Rayshaded visualisation 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 2ML-H Si{100}(1x1) after 100fs
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Rayshaded visualisation of Buckminsterfullerene interactions with bare and hydrogenated silicon surfaces. The atomic positions were calculated via Molecular Dynamics Simulation.
100eV C60 normally incident on bare Si{100}(2x1) after 100fs
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Rayshaded visualisation of Buckminsterfullerene interactions with bare and hydrogenated silicon surfaces. The atomic positions were calculated via Molecular Dynamics Simulation.
100eV C60 normally incident on 1ML-H Si{100}(2x1) after 400fs
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This picture is a rayshaded visualisation. The atomic positions were calculated via REED-MD.
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Rayshaded visualisations of various static & dynamic molecular simulations.
Top view of Si(111) 7x7 surface
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Rayshaded visualisations of various static & dynamic molecular simulations.
Side view of Si(111) 7x7 surface
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Rayshaded visualisations of various static & dynamic molecular simulations.
Top view of Si(111)-H 1x1 surface
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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. |
Rayshaded visualisations of various static & dynamic molecular simulations.
Side view of Si(111)-H 1x1 surface
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Rayshaded visualisations of various static & dynamic molecular simulations.
1 keV C60 at 30 degrees to normal on Si{111} after 800fs |
Rayshaded visualisations of various static & dynamic molecular simulations.
15 keV C60 incident at 60 degrees to normal on Graphite |
Rayshaded visualisations of various static & dynamic molecular simulations.
Side view of a chain-fold at the surface of a polyethylene crystal |
Rayshaded visualisations of various static & dynamic molecular simulations.
Surface of a polyethylene crystal |
Rayshaded visualisations of various static & dynamic molecular simulations.
Geodesic cage structure of C60 |
Rayshaded visualisations of various static & dynamic molecular simulations.
Minimim energy structure of H2C60 |
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