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MM: Fachverband Metall- und Materialphysik

MM 12: Postersitzung I

MM 12.1: Poster

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

Molecular dynamics studies on amorphous CuTi nanoparticles — •Susanne Fichtner and S.G. Mayr — Leibniz-Institut fuer Oberflaechenmodifizierung, Translationszentrum fuer regenerative Medizin und Fakultaet fuer Physik und Geowissenschaften der Universitaet Leipzig, 04318 Leipzig

It is generally well established that physical properties of materials in reduced dimensions deviate from their macroscopic behavior – particularly due to surfaces and dimensionality. For metallic glasses influences on structure, mechanical properties and the glass transition have to be expected.

We employ classical molecular dynamics simulations using embedded atom method (EAM) potentials for the model glass, CuTi, to address the influence of dimensionality and open surfaces on structure. Starting from an amorphous CuTi cell, which is prepared by quenching from liquid, amorphous particles are prepared by cutting out clusters of various sizes, ranging from 1.4nm to 4nm. After relaxation at different temperatures, changes in the pair and angular distributions are followed. Influences of surfaces and dimensionality, as well as the underlying physical origins on the atomic scale are discussed.

This project is financially supported by the DFG - PAK 63.