Calderón, L. A. Á.; Shakeel, Y.; Gedsun, A.; Forti, M.; Hunke, S.; Han, Y.; Hammerschmidt, T.; Aversa, R.; Olbricht, J.; Chmielowski, M.et al.; Stotzka, R.; Bitzek, E.; Hickel, T.; Skrotzki, B.: Management of reference data in materials science and engineering exemplified for creep data of a singlecrystalline Nibased superalloy. Acta Materialia 286, 120735 (2025)
Atila, A.; Bitzek, E.: Atomistic origins of deformation-induced structural anisotropy in metaphosphate glasses and its influence on mechanical properties. Journal of Non-Crystalline Solids 627, 122822 (2024)
Webler, R.; Baranova, P. N.; Karewar, S.; Möller, J. J.; Neumeier, S.; Göken, M.; Bitzek, E.: On the influence of Al-concentration on the fracture toughness of NiAl: Microcantilever fracture tests and atomistic simulations. Acta Materialia 234, 117996 (2022)
Hiremath, P.; Melin, S.; Bitzek, E.; Olsson, P. A. T.: Effects of interatomic potential on fracture behaviour in single- and bicrystalline tungsten. Computational Materials Science 207 (18), 111283 (2022)
Gabel, S.; Merle, B.; Bitzek, E.; Göken, M.: A new method for microscale cyclic crack growth characterization from notched microcantilevers and application to single crystalline tungsten and a metallic glass. Journal of Materials Research 37, pp. 2061 - 2072 (2022)
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.