Regensburg 2013 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 38: Topical Session: Fundamentals of Fracture - Atomistic Modelling

MM 38.2: Vortrag

Mittwoch, 13. März 2013, 15:30–15:45, H4

Atomic scale modeling of damage evolution in high temperature ceramics — •Yuriy Natanzon, Denis Pilipenko, and Heike Emmerich — Lehrstuhl für Material und Prozessimulation, Universität Bayreuth, Nürnberger Straße 38, 95448 Bayreuth, Bayern

The fracture phenomenon is a major challenge for solid state physics and material science. Modelling of damage evolution is crucial for the design of advanced materials such as high temperature ceramics, which receive more attention due to increased demand for materials for extreme environments. Due to the resulting high thermal shock resistance, carbon is used in more than 40% of all fire-proof products worldwide to adjust their thermomechanical and chemical properties. For the development of "cleaner" fire-proof parts and the consequential avoidance of carbon, it is essential to understand how other materials can tailored to reach a comparable thermal shock resistance even under today's higher thermal shock stresses.

Here we present the results of atomic scale modeling of propagation of microcracks in such fire-proof ceramics by means of classical molecular dynamics with various semi-empirical interatomic potentials. The dependence of direction of crack and its speed on the various crystal orientations as well as the loading regime is calculated. and the role of charge transfer on the crack dynamics is analysed.