[NEXT]

what

SIMULATION and VISUALIZATION of NANOGRAPHITE

  • Tightbinding molecular dynamics with OXON; visualization with AViz.

  • Results for both nanodiamond amd nanographite formation in
    A. Sorkin, J. Adler and R. Kalish, (2004), Phys. Rev B. 70, 064110.
    A. Sorkin, J. Adler and R. Kalish, (2006), Phys. Rev. B 74, 064115.
    A. Sorkin, R. Kalish and J. Adler, (2008), Phys. Rev. B., 78 155435.

  • When diamond heated and compressed both nanodiamond (as shown on talk titlepage) and nanographite developed in an amorphous matrix. Excellent success rate in creating (careful equilibration) and identifying (good visualization) nanodiamond.

  • The problem was when we found nanographite no prior experiemntal evidence and much argument that the transition to nanographite was an artifact. After we completed study and before we submitted was independent experiemntal observation of nanographite under same conditions of slow cooling.
  • Image of nanographite formation (A. Sorkin)

    These slides online at http://phycomp.technion.ac.il/~phr76ja/CCP2010