Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Integrating finite temperature magnetism into ab initio free energy calculations. ICAMS Scientific Retreat, Akademie Biggesee, Attendorn, Germany (2010)
Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: The thermodynamics of Fe-based compounds derived from first principles. Materials Science and Engineering 2010, Darmstadt, Germany (2010)
Hickel, T.; Dick, A.; Körmann, F.; Neugebauer, J.: Ab initio Bestimmung thermodynamischer Eigenschaften des Legierungssystems Fe-Mn-C. Sitzung FA Computersimulation der DGM, Aachen, Germany (2010)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: First principles concepts to determine the heat capacity of Fe-based alloys. Calphad XXXIX, Jeju Island, South Korea (2010)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Towards a First-Principles Understanding of the Iron Phase Diagram. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: Considerations on the magnetic contribution to the free energy of Fe and related alloys. MCA-Fe. International workshop "Modern computational approaches in iron based alloys”, Ekaterinburg, Russia (2009)
Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: First principles simulation of thermodynamic properties of iron and iron-based alloys. Thermec'2009. International conference on processing & manufacturing of advanced materials, Berlin, Germany (2009)
Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: The accuracy of first principles methods inpredicting thermodynamic properties of metals. XVIII International Material Research Conference, Cancun, Mexico (2009)
Neugebauer, J.; Grabowski, B.; Körmann, F.; Dick, A.; Hickel, T.: Ab Initio Thermodynamics: Status, applications and challenges. The second Sino-German Symposium on “Computational Thermodynamics and Kinetics and Their Applications to Solidification”, Kornelimünster/Aachen, Germany (2009)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. DPG Spring Meeting 2009, Dresden, Germany (2009)
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…
In this project we investigate the hydrogen distribution and desorption behavior in an electrochemically hydrogen-charged binary Ni-Nb model alloy. The aim is to study the role of the delta phase in hydrogen embrittlement of the Ni-base alloy 718.
Smaller is stronger” is well known in micromechanics, but the properties far from the quasi-static regime and the nominal temperatures remain unexplored. This research will bridge this gap on how materials behave under the extreme conditions of strain rate and temperature, to enhance fundamental understanding of their deformation mechanisms. The…
Biological materials in nature have a lot to teach us when in comes to creating tough bio-inspired designs. This project aims to explore the unknown impact mitigation mechanisms of the muskox head (ovibus moschatus) at several length scales and use this gained knowledge to develop a novel mesoscale (10 µm to 1000 µm) metamaterial that can mimic the…
Microbiologically influenced corrosion (MIC) of iron by marine sulfate reducing bacteria (SRB) is studied electrochemically and surfaces of corroded samples have been investigated in a long-term project.
For understanding the underlying hydrogen embrittlement mechanism in transformation-induced plasticity steels, the process of damage evolution in a model austenite/martensite dual-phase microstructure following hydrogenation was investigated through multi-scale electron channelling contrast imaging and in situ optical microscopy.
We plan to investigate the rate-dependent tensile properties of 2D materials such as metal thin films and PbMoO4 (PMO) films by using a combination of a novel plan-view FIB based sample lift out method and a MEMS based in situ tensile testing platform inside a TEM.
This project aims to investigate the influence of grain boundaries on mechanical behavior at ultra-high strain rates and low temperatures. For this micropillar compressions on copper bi-crystals containing different grain boundaries will be performed.
Oxidation and corrosion of noble metals is a fundamental problem of crucial importance in the advancement of the long-term renewable energy concept strategy. In our group we use state-of-the-art electrochemical scanning flow cell (SFC) coupled with inductively coupled plasma mass spectrometer (ICP-MS) setup to address the problem.