Neugebauer, J.: Fully ab initio determination of free energies: Basis for inverse approaches in materials design. MRS Fall Meeting, Boston, MA, USA (2012)
Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Pei, Z.; Zhu, L.-F.; Sha, G.; Ringer, S.; Neugebauer, J.; Raabe, D.: Combining ab initio calculations and high resolution experiments to improve the understanding of advanced Mg-Y and Mg-RE alloys. 7th Annual Conference of the ARC Centre of Excellence for Design in Light Metals, Melbourne, VIC, Australia (2012)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The influence of magnetic excitations on the phase stability of metals and steels. Seminar Talk at Institute for Pure and Applied Math, UCLA, University of California, Los Angeles, CA, USA (2012)
Neugebauer, J.: Ab initio based multiscale modeling of structural materials: From a predictive thermodynamic description to tailored mechanical properties. MMM 2012 - Multiscale Materials Modeling Conference, Singapore City, Singapore (2012)
Neugebauer, J.: Ab initio computation of free energies. MDWS1: Workshop on Quantum and Atomistic Modeling of Materials Defects, Los Angeles, CA, USA (2012)
Schulz, T.; Remmele, T.; Markurt, T.; Korytov, M.; Albrecht, M.; Duff, A.; Lymperakis, L.; Neugebauer, J.: Alloy fluctuations in III-Nitrides revisited by aberration corrected transmission electron microscopy. International Workshop on Nitride Semiconductors 2012, Sapporo, Japan (2012)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Consequences of H-Vacancy Interactions: An Ab Initio Insight. International Hydrogen Conference, Jackson Lake Lodge, Moran, WY, USA (2012)
Neugebauer, J.: Understanding H-embrittlement in high-strength steels by ab initio methods. 2012 International Hydrogen Conference, Moran, WY, USA (2012)
Neugebauer, J.: Density functional theory: From the chemical bond to microstructural information. Workshop Multiscale Material Modeling 2012, Bad Herrenalb, Germany (2012)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
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…
Copper is widely used in micro- and nanoelectronics devices as interconnects and conductive layers due to good electric and mechanical properties. But especially the mechanical properties degrade significantly at elevated temperatures during operating conditions due to segregation of contamination elements to the grain boundaries where they cause…