Regensburg 2007 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 24: Nano structured materials II
MM 24.1: Talk
Wednesday, March 28, 2007, 16:45–17:00, H4
Atomistic simulation of carbon nanostructures in electronic nonequilibrium — •Harald O. Jeschke1, Aldo H. Romero2, Traian Dumitrica3, and Martin E. Garcia4 — 1Institut für Theoretische Physik, Universität Frankfurt, Germany — 2CINVESTAV Querétaro, Querétaro, México — 3Department of Mechanical Engineering, University of Minnesota, USA — 4Theoretische Physik, Universität Kassel, Germany
We analyze the response of carbon nanostructures to laser induced nonequilibrium by performing molecular dynamics simulation on time dependent potential energy surfaces. We observe that typical defects in carbon nanotubes become instable upon excitation of electron hole pairs, and the nanotubes heal. We also find that the excitation of coherent phonons can be exploited in capped carbon nanotubes to achieve a clean separation of the nanotube cap and body. In a broad investigation of the stability of single wall nanotubes upon laser irradiation we find interesting dependencies on nanotube diameter and on the laser pulse parameters.