Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti-binaries for human implants. XVI. International Materials Research Congress, Cancun (Merrida), Mexico (2007)
Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Ab initio prediction of elastic and thermodynamic properties of metals. Seminar in Friedrich-Alexander-Universitaet, Erlangen-Nürnberg, Germany (2007)
Friak, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti–Nb alloys for biomedical applications. 1st International Conference on Material Modelling, Dortmund, Germany (2009)
Friák, M.; Ma, D.; Sander, B.; Raabe, D.; Neugebauer, J.: Bottom up design of novel titanium-based biomaterials through the combination of ab-initio simulations and experimental methods. Euromat 2007, Nürnberg, Germany (2007)
Ma, D.; Raabe, D.; Roters, F.: Effects of initial orientation, sample geometry and friction on anisotropy and crystallographic orientation changes in single crystal microcompression deformation: A crystal plasticity finite element study. International workshop on small scale plasticity, Brauwald, Switzerland (2007)
The wide tunability of the fundamental electronic bandgap by size control is a key attribute of semiconductor nanocrystals, enabling applications spanning from biomedical imaging to optoelectronic devices. At finite temperature, exciton-phonon interactions are shown to exhibit a strong impact on this fundamental property.
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.