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)
Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: First principles calculations of the stacking fault energies for Mn and Fe. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends for the solution enthalpy of hydrogen in 3d transition metals. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Dick, A.; Hickel, T.; Neugebauer, J.: Stacking fault properties in high-Mn steels: An ab initio study. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (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)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in realistic polar and nonpolar GaN quantum dots. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Kinetic Monte Carlo simulations and ab initio studies of nano-precipitation in ferritic steels. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Zhu, L.-F.; Dick, A.; Friák, M.; Hickel, T.; Neugebauer, J.: First principles study of thermodynamic, structural and elastic properties of eutectic Ti-Fe alloys. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Efficient sampling strategies of anharmonic free energies. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
Hickel, T.; Uijttewaal, M.; Al-Zubi, A.; Neugebauer, J.: Ab initio simulation of magnetic shape memory alloys: The interplay of magnetic and vibrational degrees of freedom. Oberseminar: Ultraschnelle Dynamik in Festkörpern und an Grenzflächen, Fakultät für Physik, Universtität Duisburg-Essen, Duisburg, Germany (2010)
Hickel, T.; Neugebauer, J.: Simulation tools for ab initio steel design. CM Special Workshop on "Ab initio Description of Iron, Steel and Related Materials", MPIE, Düsseldorf, Germany (2009)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Wasserstoff in X-IP Stahl (ab initio): Einfluss von Defekten auf die Energetik und Dynamik von Wasserstoff in Manganstählen. X-IP Workshop, Dortmund, Germany (2009)
Dick, A.; Hickel, T.; Neugebauer, J.: Ab Initio Interfacial Austenite/Martensite Energies for Accurate Stacking Fault Energy Calculations in High-Mn Steels. Materials Research Society 2010 Fall Meeting, Boston, MA, USA (2009)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in realistic polar and nonpolar grown GaN quantum dots. Collaborative Conference on Interacting Nanostructures CCIN'09, San Diego, CA, USA (2009)
Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in magnetic shape memory Heusler alloys. SPP1239 Fokustreffen A "Fundamentals", Bonn, Germany (2009)
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)
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…
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.
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.
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.
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 will investigate the electrothermomechanical response of individual metallic nanowires as a function of microstructural interfaces from the growth processes. This will be accomplished using in situ SEM 4-point probe-based electrical resistivity measurements and 2-point probe-based impedance measurements, as a function of mechanical strain and…