von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of the Hydrogen enhanced local plasticity (HELP) mechanism. Asia Steel Conference 2009, Busan, South Korea (2009)
Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Stacking Fault Properties in FeMn Alloys. Asia Steel Conference 2009, Busan, South Korea (2009)
Neugebauer, J.: Multi-Scale Computational Materials Design of Structural Materials: First-Principles Calculations. Workshop at Pohang University of Science and Technology, Pohang, South Korea (2009)
Neugebauer, J.: Ab initio based multiscale modeling of engineering materials: From a predictive thermodynamic description to tailored mechanical properties. Asia Steel Conference, Busan, South Korea (2009)
Neugebauer, J.: Ab Initio Based Multiscale Modeling of Engineering Materials: From a Predictive Thermodynamic Description to Tailored Mechanical Properties. Colloquium at TU Bergakademie Freiberg, Freiberg, Germany (2009)
Nazarov, R.; Ismer, L.; 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)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: What can EPR hyperfine parameters tell about the Si dangling bond? - A theoretical viewpoint. 1st International Workshop on the Staebler-Wronski effect, Berlin, Germany (2009)
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Multi-scale modeling of the phase stability of interstitial Fe-C solid solutions. Invited talk at MPI for Metal Research, Stuttgart, Germany (2009)
Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Universal trends for the solubility of hydrogen in non-magnetic 3d transition metals derived from first principles. DPG Spring meeting, Dresden, Germany (2009)
Hickel, T.; Uijttewaal, M.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. DPG Spring Meeting 2009, Dresden, Germany (2009)
Ismer, L.; Hickel, T.; Neugebauer, J.: Effect of interstitial carbon on the magnetic structure of fcc iron: Towards an ab-initio understanding of austenitic steels. DPG Spring Meeting 2009, Dresden, 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)
Lange, B.; Freysoldt, C.; Neugebauer, J.: Role of the parasitic Mg3N2 phase in post-growth activation of p-doped Mg:GaN. DPG Frühjahrstagung, TU Dresden, Germany (2009)
Ma, D.; Friák, M.; Raabe, D.; Neugebauer, J.: Multi-physical alloy approaches to solid solution strengthening of Al. Deutsche Physikalische Gesellschaft 2009, Dresden, Germany (2009)
Marquardt, O.; Hickel, T.; Neugebauer, J.: Application of an eight-band k.p model to study III-nitride semiconductor. DPG Spring Meeting 2009, Dresden, Germany (2009)
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: Ab-initio calculations of hyperfine parameters for various Si-dangling bond models. DPG spring meeting, TU Dresden, Germany (2009)
Todorova, M.; Ismer, L.; Neugebauer, J.: Role of anharmonic contributions for the elasticity of ice. Fruehjahrstagung der Deutschen Physikalischen Gesellschaft, Dresden, Germany (2009)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
Many important phenomena occurring in polycrystalline materials under large plastic strain, like microstructure, deformation localization and in-grain texture evolution can be predicted by high-resolution modeling of crystals. Unfortunately, the simulation mesh gets distorted during the deformation because of the heterogeneity of the plastic…
About 90% of all mechanical service failures are caused by fatigue. Avoiding fatigue failure requires addressing the wide knowledge gap regarding the micromechanical processes governing damage under cyclic loading, which may be fundamentally different from that under static loading. This is particularly true for deformation-induced martensitic…
Conventional alloy development methodologies which specify a single base element and several alloying elements have been unable to introduce new alloys at an acceptable rate for the increasingly specialised application requirements of modern technologies. An alternative alloy development strategy searches the previously unexplored central regions…
The full potential of energy materials can only be exploited if the interplay between mechanics and chemistry at the interfaces is well known. This leads to more sustainable and efficient energy solutions.