Dresden 2011 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 12: Postersitzung I

MM 12.31: Poster

Monday, March 14, 2011, 17:30–19:00, P5

Molecular Dynamics Simulations on Carbon Nanoclusters — •Andrew Aird and Jörg Wrachtrup — 3. Physikalisches Institut, Universität Stuttgart, Germany

Bulk- as well as nanodiamonds containing impurities are promising candidates for a broad range of applications (quantum computing, magnetometry). A positioning accuracy on the nanometer scale and very small, nanometer sized diamonds containing stable defects are prerequisites. Nowadays, molecular dynamics (MD-) simulations allow the atomistic description of devices with system sizes in the range of 10-100 nm. Using MD simulations together with potentials to describe covalent materials, carbon clusters with and without defects are investigated. The effect of external mechanical as well as kinetic stress on the structure and stability of the nanodiamonds are of special interest. In addition, low energy implantation processes of nitrogen into bulk- as well as nanodiamonds are explored. The main goal is to optimize these processes with respect to requested target structures.