Neugebauer, J.: Ab initio based modeling of engineering materials: From a predictive thermodynamic description to tailored mechanical properties. Multiscale Materials Modeling 2008, Tallahassee, FL, USA (2008)
Udyansky, A.; Bugaev, V.; von Pezold, J.; Friák, M.; Neugebauer, J.: Modeling of the strain-induced interaction between carbon atoms in Fe-C solid solution using embedded atom method potential. Contemporary Problems of Metal Physics, Kiev, Ukraine (2008)
Neugebauer, J.: Design of engineering materials based on ab initio thermodynamics and kinetics. Materials Science and Technology 2008, Pittsburgh, PA, USA (2008)
Lymperakis, L.; Neugebauer, J.: Ab initio study of Thermodynamics and adatom kinetics on non-polar GaN surfaces: Consequences on the growth morphology and the formation of nanowires. International Workshop on Nitride Semiconductors, Montreux, Switzerland (2008)
Ma, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Ab initio based design of alloys. MS&T'08, Symposium: Discovery and Optimization of Materials Through Computational Design, David Lawrence Convention Center, Pittsburgh, PA, USA (2008)
Counts, W. A.; Ma, D.; Friák, M.; Neugebauer, J.; Raabe, D.: Multiscale design of aluminium alloys based on ab-initio methods. ICAA 11 – 11th International Conference on Aluminium Alloys 2008, Aachen, Germany (2008)
Lymperakis, L.; Neugebauer, J.: Growth simulations of non-polar GaN surfaces: Thermodynamics, kinetics and dopant incorporations. Bremen DFG Forschergruppe: Workshop in Riezlern, Reizlern, Austria (2008)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Modeling of electronic and optical properties of GaN/AlN quantum dots by using the k.p-method. Bremen DFG Forschergruppe: Workshop in Riezlern, Riezlern, Austria (2008)
Raabe, D.; Friak, M.; Neugebauer, J.; Counts, W. A.: Homogenization in Polycrystal Mechanics on the Basis of First Principles Simulations. IUTAM Symposium on Variational Concepts in Materials Mechanics, Ruhr-Universität Bochum, Germany (2008)
Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Mechanical Properties of FeMn-Alloys. Workshop des SFB761, Beilngries, Germany (2008)
Friák, M.; Neugebauer, J.: Ab initio study on elastic properties of Fe3Al-based alloys. Materials Science and Engineering (MSE'08), Nürnberg, Germany (2008)
Neugebauer, J.: Ab Initio Based Modeling of Engineering Materials: From a Predictive Thermodynamic Description to Tailored Mechanical Properties. Materials Science and Engineering, Nürnberg, Germany (2008)
von Pezold, J.; Neugebauer, J.: Hydrogen-enhanced local plasticity - An atomistic study. Materials Science and Engineering 2008, Nuernberg, Germany (2008)
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…
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…
Hydrogen induced embrittlement of metals is one of the long standing unresolved problems in Materials Science. A hierarchical multiscale approach is used to investigate the underlying atomistic mechanisms.
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.
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.
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,...