Park, S. J.; Han, H. N.; Oh, K. H.; Raabe, D.; Kim, J. K.: Crystal Plasticity Finite Element Simulations of Grain Interaction and Orientation Fragmentation during Plastic Deformation of BCC Metals, (2003)
Raabe, D.; Roters, F.; Wang, Y.: Simulation of Crystallographic Texture and Anisotropie of Polycrystals during Metal Forming with Respect to Scaling Aspects, (2003)
Oxides find broad applications as catalysts or in electronic components, however are generally brittle materials where dislocations are difficult to activate in the covalent rigid lattice. Here, the link between plasticity and fracture is critical for wide-scale application of functional oxide materials.
In this project we conduct together with Dr. Sandlöbes at RWTH Aachen and the department of Prof. Neugebauer ab initio calculations for designing new Mg – Li alloys. Ab initio calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis.