Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. ADIS Conference 2012, Ringberg, Germany (2012)
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)
Dutta, B.; Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Prediction of chemical trends in the phase diagrams of magnetic shape memory alloys from first-principles calculations. International Workshop on Ab initio Description of Iron and Steel (ADIS2012), Ringberg, Germany (2012)
Tillack, N.; Yates, J. R.; Roberts, S. G.; Hickel, T.; Drautz, R.; Neugebauer, J.: First-Principles Investigations of ODS Steels. Ab initio Description of Iron and Steel: Thermodynamics and Kinetics, Tegernsee, Germany (2012)
Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio study of nano-precipitate nucleation and growth in ferritic steels. Psi-k/CECAM/CCP9 Biennial Graduate School in Electronic-Structure Methods, Oxford, UK (2011)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Integrating finite temperature magnetism into ab initio free energy calculations. Calphad XL, Rio de Janeiro, Brazil (2011)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Integrating finite temperature magnetism into ab initio free energy calculations. TMS 2011 Annual Meeting, San Diego, CA, USA (2011)
Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio study of nano-precipitate nucleation and growth in ferritic steels. Materials Discovery by Scale-Bridging High-Throughput Experimentation and Modelling, Ruhr-Universität Bochum, Bochum, Germany (2010)
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)
Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Ab initio and kinetic Monte-Carlo study of nano-precipitate nucleation and growth in ferritic steels. Materials Discovery by Scale-Bridging High-Throughput Experimentation and Modelling, 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)
Sandschneider, N.; Hickel, T.; Neugebauer, N.: Defects and diffusion mechanisms in FeAl. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Kinetic Monte Carlo and ab initio study of nano-precipitates and growth in ferritic steels. Ab Initio Description of Iron and Steel: Mechanical Properties, Tegernsee, Germany (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…
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
The project aims to study corrosion, a detrimental process with an enormous impact on global economy, by combining denstiy-functional theory calculations with thermodynamic concepts.
Hydrogen embrittlement affects high-strength ferrite/martensite dual-phase (DP) steels. The associated micromechanisms which lead to failure have not been fully clarified yet. Here we present a quantitative micromechanical analysis of the microstructural damage phenomena in a model DP steel in the presence of hydrogen.
Thermo-chemo-mechanical interactions due to thermally activated and/or mechanically induced processes govern the constitutive behaviour of metallic alloys during production and in service. Understanding these mechanisms and their influence on the material behaviour is of very high relevance for designing new alloys and corresponding…
Nickel-based alloys are a particularly interesting class of materials due to their specific properties such as high-temperature strength, low-temperature ductility and toughness, oxidation resistance, hot-corrosion resistance, and weldability, becoming potential candidates for high-performance components that require corrosion resistance and good…
Understanding hydrogen-assisted embrittlement of advanced structural materials is essential for enabling future hydrogen-based energy industries. A crucially important phenomenon in this context is the delayed fracture in high-strength structural materials. Factors affecting the hydrogen embrittlement are the hydrogen content,...
Understanding hydrogen-assisted embrittlement of advanced high-strength steels is decisive for their application in automotive industry. Ab initio simulations have been employed in studying the hydrogen trapping of Cr/Mn containing iron carbides and the implication for hydrogen embrittlement.