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Process Optimization of Developing Disordered Graphitic Structures from Amorphous Carbons at Different Densities

Lu Yu
Department of Materials Science & Engineering, University of Tennessee

This page shows visualizations of the disordered graphitic carbons developed by the amorphous carbon. These structures were created by Lu Yu in Department of Materials Science and Engineering in University of Tennessee.

The simulations are performed in an NVT ensemble with ReaxFF potential. The carbons with different densities are first melted and then quickly cooled down by liquid quench method to produce amorphous carbon solid. Then the thermal annealing is applied to induce the graphitization.1 After we prolong the annealing time, the graphitic structures fraction is obviously increased. The radial distribution function and structure could be seen to confirm the formation of the graphitic carbon structures. We could also trace the formation of the amorphous carbons and graphitization process along with the liquid quench and thermal annealing process.

Interactive Structures

Color Legend:

  • grey atoms = carbons


1. Carlade Tomas, IreneSuarez-Martinez, Nigel A.Marks. Graphitization of amorphous carbons: A comparative study of interatomic potentials. Carbon, 109, November 2016, 681-693

posted: April 2020.
updated: April 2020.