Regensburg 2007 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 40: Particles and Clusters I

O 40.4: Vortrag

Mittwoch, 28. März 2007, 16:30–16:45, H38

Dealloying effects in rotating CuAu nanoclusters - A molecular dynamics study — •H. Neubauer and S.G. Mayr — I. Physikalisches Institut, Georg-August-Universität Göttingen, Friedrich-Hund-Platz 1, 37077 Göttingen

Dealloying effects in rotating liquid CuAu clusters are investigated with the help of classical molecular dynamics simulations using embedded atom method (EAM) potentials. We employ the model system, CuAu, to investigate the phenomenon as a function of cluster size and composition, i.e. for CuAu, Cu₃Au and CuAu₃. In addition to well–established surface energy related effects, we find an enrichment of Au on the surface due to centrifugal forces. An ellipsoid deformation of the cluster occurs, while Au forms a bulge around the rotating cluster. Disturbances occuring during rotational movement, such as thermal fluctuations or oscillations, are found to counteract the dealloying process by mixing the constituents; for long enough times a stationary state is reached. We acknowledge the SFB 602 - TP B3 for financial support.