Molecular dynamics simulation of observed c(4x4) and c(4x3) C60 alignments on the Si(100) reconstructed surface.
Rafii-Tabar, H., TambyRajah, A., Kamiyama, H. and Kawazoe, Y. (1996) Molecular dynamics simulation of observed c(4x4) and c(4x3) C60 alignments on the Si(100) reconstructed surface. Modelling and Simulation in Materials Science and Engineering, 4 (1). pp. 101-110. ISSN ISSN 0965-0393 (Print) ISSN 1361-651X (Online) (doi:10.1088/0965-0393/4/1/009)Full text not available from this repository.
We have implemented a large-scale classical molecular dynamics simulation at constant temperature to provide a theoretical insight into the results of a recently performed experiment on the monolayer and multi-layer formations of molecular films on the Si(100) reconstructed dimerized surface. Our simulation has successfully reproduced all of the morphologies observed on the monolayer film by this experiment. We have obtained the formation of both c(4 4) and c(4 3) structures of the molecules and have also obtained phase transitions of the former into the latter.
|Uncontrolled Keywords:||molecular dynamics, simulations|
|Subjects:||Q Science > QC Physics|
|School / Department / Research Groups:||School of Computing & Mathematical Sciences|
School of Computing & Mathematical Sciences > eCentre
|Last Modified:||10 Nov 2010 17:33|
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