Surendralal, S.; Todorova, M.: Automated Calculations for Charged Point Defects in Magnesium Oxide and Iron Oxides. Master, Ruhr-Universität Bochum, GermanyRuhr-Universität Bochum, Bochum, Germany (2016)
Sözen, H. I.: Ab initio investigations on the energetics and kinetics of defects in Fe–Al alloys. Master, Ruhr-Universität Bochum, Bochum, Germany (2014)
Tillack, N.: Chemical Trends in the Yttrium-Oxide Precipitates in Oxide Dispersion Strengthened Steels: A First-Principles Investigation. Master, Ruhr-Universität Bochum, Bochum, Germany (2012)
Kim, O.: Ab-initio study of formation and interaction energies in steel and their relations to the solubility limit of carbon in austenite and ferrite. Master, RWTH-Aachen, Aachen, Germany (2007)
Alkauskas, A.; Deak, P.; Neugebauer, J.; Pasquarello, A.; van de Walle, C. G. (Eds.): Advanced Calculations for Defects in Solids - Electronic Structure Methods - Preface (Special issue). Physica Status Solidi B 248, (1) (2011), 17-18 pp.
Poul, M.; Huber, L.; Bitzek, E.; Neugebauer, J.: Systematic Structure Datasets for Machine Learning Potentials: Application to Moment Tensor Potentials of Magnesium and its Defects. arXiv (2022)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
The atomic arrangements in extended planar defects in different types of Laves phases is studied by high-resolution scanning transmission electron microscopy. To understand the role of such defect phases for hydrogen storage, their interaction with hydrogen will be investigated.
The mechanical properties of bulk CrFeCoNi compositionally complex alloys (CCA) or high entropy alloys (HEA) are widely studied in literature [1]. Notably, these alloys show mechanical properties similar to the well studied quinary CrMnFeCoNi [2] . Nevertheless, little is known about the deformation mechanisms and the thermal behavior of these…
Hydrogen embrittlement is one of the most substantial issues as we strive for a greener future by transitioning to a hydrogen-based economy. The mechanisms behind material degradation caused by hydrogen embrittlement are poorly understood owing to the elusive nature of hydrogen. Therefore, in the project "In situ Hydrogen Platform for…
Defects at interfaces strongly impact the properties and performance of functional materials. In functional nanostructures, they become particularly important due to the large surface to volume ratio.