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SUMMARY of SPECIFIC RESULTS

Atomistic simulations with careful equilibration and visualization with AViz confirm numerous hypotheses and models based thereon. Sometimes models enable extension to larger systems, often effects intrinsically nano!

  • Studies of bulk and surface melting confirm hypothesis that Born criterion is relevant to surface melting in general.
  • Mechanism for graphitization of degraded diamonds revealed!
  • Success in nanodiamond/nanographite growth from molten carbon, with conditions in line with experiments.
  • Validation of model for ballistic transport in nanotubes describing hydrogen separation.
  • [BACK][CONCLUSIONS]