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SIMULATION and VISUALIZATION of NANODIAMOND and NANOGRAPHITE

  1. [Title Page] [Abstract]
  2. Introduction - [ carbon allotropes][ hybridization]
  3. Experimental background - [ion implantation][split interstitial][animation]

  4. More recently - nanodiamond and [nanographite] formation and identification.
  5. Latest project - etch out channels in diamond by irradiation to make amorphous sp2 [image][project]
  6. Hydrogen atom [wavefunction][ctd][ctd]

  7. Molecules - GAMESS/AViz and VASP/VESTA comparison [all orbitals] [F2 orbital]
  8. VASP/VESTA for split-interstitial [pick a frame][confirmation]

These slides online at http://phycomp.technion.ac.il/~phr76ja/CCP2010 - view VASP/VESTA image of Nanotube