Regensburg 2007 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 28: Intermetallic phases I
MM 28.4: Talk
Thursday, March 29, 2007, 11:00–11:15, H16
An atomistic view on brittle fracture of complex metallic alloys — •Frohmut Rösch and Hans-Rainer Trebin — Universität Stuttgart, Institut für Theoretische und Angewandte Physik, 70550 Stuttgart
Cracks in brittle solids propagate by successively breaking bonds. The fracture behaviour on this atomic level can be mimicked and understood with the help of molecular dynamics simulations. For this purpose we investigate the Friauf-Laves phase C15 NbCr2. The effective potentials for this structurally already quite complex alloy have been matched to ab-initio data for the intermetallic compound. The simulation results reveal that the discreteness of matter strongly effects crack propagation. For this reason major aspects of the computer experiments cannot be explained by continuum theories and global fracture criteria.