Chinonso Ugwumadu, Rajendra Thapa and D. A. Drabold, Ohio University
In these links, we offer highly realistic animations of layering transitions in carbon materials. These simulations are all carried out at 3000K, at densities near that of graphite. The simulations mostly employed the remarkable ML GAP potential of Volker Deringer and Gábor Csányi [Phys. Rev. B 95, 094203 (2017)].
Bulk solid: “Amorphous Graphite” [Simulation of 1000 atoms at density 2.44 gm/cc and random initial coordinates]. See also this reference.
Multi-shell fullerenes “buckyonions” [Simulation of shell formation]