A. Sorkin, J. Adler and R.Kalish

COMPUTATIONAL STUDY OF STRUCTURES AND TRANSFORMATION OF AMORPHOUS CARBON UNDER EXTREME HEATING

  1. Introduction
  2. Diamond, graphite and amorphous carbon
            Electronic configuration of carbon         Diamond and Graphite         Amorphous carbon
  3. Experimental motivation
  4. Numerical Techniques
            Molecular Dynamics Technique         Tight-binding Molecular Dynamics                 The bond energy model
            Tight-binding approximation         The minimal basis set approximation               The rescaling functions
            Forces calculation
  5. Structures of amorphous carbon
            Amorphous carbon
            Simulations of amorphous carbon located between two layers of diamond
            Simulations of amorphous carbon located between two layers of amorphous carbon
  6. Conclusions



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