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
The goal of this project is the investigation of interplay between the atomic-scale chemistry and the strain rate in affecting the deformation response of Zr-based BMGs. Of special interest are the shear transformation zone nucleation in the elastic regime and the shear band propagation in the plastic regime of BMGs.
In this project we developed a phase-field model capable of describing multi-component and multi-sublattice ordered phases, by directly incorporating the compound energy CALPHAD formalism based on chemical potentials. We investigated the complex compositional pathway for the formation of the η-phase in Al-Zn-Mg-Cu alloys during commercial…
Hydrogen embrittlement (HE) of steel is a great challenge in engineering applications. However, the HE mechanisms are not fully understood. Conventional studies of HE are mostly based on post mortem observations of the microstructure evolution and those results can be misleading due to intermediate H diffusion. Therefore, experiments with a…
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.