Structural Study of Amorphous Carbon using Adaptive Interatomic Reactive Empirical Bond-order Potential Model
M.T. Knippenberg, O. Kum and S.J. Stuart
Clemson University, US
amorphous carbon, pair-correlation function, concentration of coordination, ring statistics
We studied the structural properties of amorphous carbon covering a wide range of densities from low-density to high-density regime using classical molecular dynamics with reactive empirical bond-order potential model. We calculated the pair-correlation functions, relative concentration of various coordinated atoms, and ring statistics in the amorphous carbon networks and compared them with other results. They agree with each other qualitatively but are different quantitatively. We investigate the difference now and will provide comprehensive understanding at the conference.
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Nanotech 2005 Conference Program Abstract