Formation of cage-like clusters in molecular-dynamics simulations
Department of Theoretical Physics, Institute of Physics
Technical University of Budapest - H-1521 Budapest, Hungary
Accepted: 15 October 1998
We have examined the formation of cage-like clusters in helium atmosphere via tight-binding molecular-dynamics simulation. Simulating the laser evaporation experiment, we obtained a cage structure containing 11 pentagons, 19 hexagons, one tetragon and one heptagon in the simulation time of 30.8 ps. After examining the stability of the buckminsterfullerene, a pathway is suggested for its formation.
PACS: 61.48.+c – Fullerenes and fullerene-related materials / 31.15.Qg – Molecular dynamics and other numerical methods
© EDP Sciences, 1998