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M: Metallphysik

M 41: Postersitzung

M 41.2: Poster

Donnerstag, 27. März 2003, 14:30–16:30, HSZ

Does icosahedral short-range order exist in dense-random packing models for liquid metals? — •Sergei Korotkov¹, Helmut Hermann¹, Klaus Wetzig¹, Alexander Bezrukov², and Dietrich Stoyan² — ¹IFW Dresden, PF 270116, 01171 Dresden — ²Universität BA Freiberg, Institut für Stochastik, B.-von-Cotta-Str. 2, 09596 Freiberg

The well-known dense-random packing model is used as an approach to the structure of liquid metals. We discuss the question whether or not icosahedral short-range order can be observed within the framework of this model. Densely packed arrangements of equally-sized spheres are generated at different conditions. We considered the following initial configurations: Random and uncorrelated distribution of sphere centres, random and ordered distribution of clusters of spheres where the spheres belonging to a cluster are situated on the vertices and the centre of an icosahedron, and inhomogeneous (two-phase) structures. The evolution of the degree of icosahedrality during densification is analysed both in terms of local order parameters and the structure factor of the model. The number of spheres of a model is of the order of 10.000, periodic boundary conditions are applied, and the densification process is controlled by the so-called force-biased algorithm.

Acknowledgement: The work has been supported by the German Science Foundation (DFG) via the DFG priority program No-dqPhasenumwandlungen in mehrkomponentigen SchmelzenNo-dq under grant HE 2077/13-1.