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The essential role of visualization for modeling nanotubes and nanodiamond - links to references, color figures and animations.

Joan Adler with J. Fox, R. Kalish, T. Mutat, A. Sorkin, and E. Warszawski

  • Section 1. - Previous articles on AViz
    1. (Reference 1.) Visualization in atomistic and spin simulations - [website]
    2. (Reference 2.) Visualizing nanodiamond and nanotubes - [talk] [manuscript]
  • Section 2. (Reference 3.) Hydrogen atom visualizations - Joey Fox [website][backup website]

  • Section 3. Searching for diamonds in haystacks and graphite in diamonds.
    1. (Reference 5.) Searching for diamonds in haystacks [ Animations and visualizations ] - below left and in link above; red balls indicate sp3 bonded atoms, blue sp2, yellow sp. On the extreme left is the whole sample, in the centre the nanodiamond cluster. These are larger colored versions of Fig. 1 from the talk manuscript.

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    2. Graphite in diamond [Damage in diamond] - above right; damaged diamond - Saada/Kalish/Adler, visualization by Eduardo W. Here a different color code is used: blue for an atom with 4 nearest neighbours, green for an atom with 3 nearest neighbours - green bonds are drawn between two sp2 atoms thus highlighting graphitic structures, and brown atoms are atoms with less neighbours - although the sample has periodic bundary conditions, only one replica is drawn and so these appear on the sample outside, even though they are not physical.
  • Section 4. Nanotubes
    1. Diffusion in nanotubes [ Explanation] [Animation of diffusion of methane molecule using REBO potential]
    2. Vibrations of nanotubes [Animations of vibrating tube]
  • [TALK] [MANUSCRIPT]