Atomistic dynamics of crack propagation in complex metallic alloy phases

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For several years crack propagation in condensed matter has been studied worldwide in atomistic simulations with supercomputers [1.10]. In previous work two- or three-dimensional monoatomic crystals or simple binary alloys were treated with realistic or model potentials. Three-dimensional complex phases like quasicrystals have only been studied with model potentials [11.13]. Analyses concentrated on global properties like the brittle to ductile transition or the shape of the fracture profiles. In the current project we intend to investigate crack propagation in three-dimensional complex alloy phases with molecular dynamics simulations using samples with millions of atoms. For these simulations we shall generate and use realistic material-specific effective potentials. The mechanisms of crack propagation will then be analysed and described on an atomic scale. This proposal is part of the DFG-Paketantrag .Physical Properties of Complex Metallic Alloys , which in turn represents a national realisation of a work group within the European Network of Excellence .Complex Metallic Alloys.