Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Aydin, U.; Hickel, T.; Neugebauer, J.: High-Throughput Computation: The solution enthalpy of hydrogen in 3d metals derived from first principles. International workshop on Materials Discovery by Scale-Bridging High-Throughput, Bochum, Germany (2010)
Aydin, U.; Hickel, T.; Neugebauer, J.: The solution enthalpy of hydrogen derived from first principles along the series of 3d metals. Ab initio description of Iron and Steel: Mechanical Properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of dilute hydrogen in 3d transition metals, derived from first principles. Summer School: Computational Materials Science, San Sebastian, Spain (2010)
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…
Grain boundaries (GBs) are regions connecting adjacent crystals with different crystallographic orientations. GBs are a type of lattice imperfection, with their own structure and composition, and as such impact a material’s mechanical and functional properties. Structural motifs and phases formed at chemically decorated GBs can be of a transient…
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…