Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin film and impact for structural transformations in Fe–C alloys. ADIS Workshop 2014, Ringberg, Germany (2014)
Surendralal, S.: Development of an ab initio computational potentiostat and its application to the study of Mg corrosion. Dissertation, Ruhr Universität Bochum (2020)
Vatti, A. K.: An ab initio study of muscovite mica and formation energy of ions in liquid water. Dissertation, Fakultät für Maschinenbau der Ruhr-Universität Bochum, Bochum, Germany (2016)
Kenmoe, S.: Ab Initio Study of the Low-Index Non-Polar Zinc Oxide Surfaces in Contact with Water: from Single Molecules to Multilayers. Dissertation, Fakultät für Physik und Astronomie der Ruhr-Universität Bochum, Bochum, Germany (2015)
Sözen, H. I.: Ab initio investigations on the energetics and kinetics of defects in Fe–Al alloys. Master, Ruhr-Universität Bochum, Bochum, Germany (2014)
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
Understanding hydrogen-microstructure interactions in metallic alloys and composites is a key issue in the development of low-carbon-emission energy by e.g. fuel cells, or the prevention of detrimental phenomena such as hydrogen embrittlement. We develop and test infrastructure, through in-situ nanoindentation and related techniques, to study…
Recently developed dual-phase high entropy alloys (HEAs) exhibit both an increase in strength and ductility upon grain refinement, overcoming the strength-ductility trade-off in conventional alloys [1]. Metastability engineering through compositional tuning in non-equimolar Fe-Mn-Co-Cr HEAs enabled the design of a dual-phase alloy composed of…
Because of their excellent corrosion resistance, high wear resistance and comparable low density, Fe–Al-based alloys are an interesting alternative for replacing stainless steels and possibly even Ni-base superalloys. Recent progress in increasing strength at high temperatures has evoked interest by industries to evaluate possibilities to employ…
To design novel alloys with tailored properties and microstructure, two materials science approaches have proven immensely successful: Firstly, thermodynamic and kinetic descriptions for tailoring and processing alloys to achieve a desired microstructure. Secondly, crystal defect manipulation to control strength, formability and corrosion…