Ma, D.; Friák, M.; Raabe, D.; Neugebauer, J.: Investigation of solid solution strengthening by density functional theory. 11-th National Congress on Theoretical and Applied Mechanics, Borovets, Bulgaria (2009)
Friák, M.; Deges, J.; Krein, R.; Stein, F.; Palm, M.; Frommeyer, G.; Neugebauer, J.: Combining Experimental and Computational Methods in the Development of Fe3Al-based Materials. 5th Discussion Meeting on the Development of Innovative Iron Aluminium Alloys (FEAL 2009), Prague, Czech Republic (2009)
Nazarov, R.; 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, Duisburg, Germany (2009)
Neugebauer, J.: Material- und Werkstoffdesign am Computer: Möglichkeiten, Grenzen und Perspektiven. Kolloquium at Akademie der Wissenschaften, Düsseldorf, Germany (2009)
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Influence of long-range C-C elastic interactions on the structural stability of dilute Fe-C solid solutions. Invited Talk at ICAMS, Bochum, Germany (2009)
Friak, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Using Ab Initio Calculations in Designing BCC Mg–Li Alloys for Ultra Light-Weight Applications. THERMEC'2009: International Conference on PROCESSING & MANUFACTURING OF ADVANCED MATERIALS, Berlin, Germany (2009)
Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: First principles simulation of thermodynamic properties of iron and iron-based alloys. Thermec'2009. International conference on processing & manufacturing of advanced materials, Berlin, Germany (2009)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: What can EPR hyperfine parameters tell about the Si dangling bond? - A theoretical study. International conference on amorphous and nanoporous semiconductors (ICANS) 23, Utrecht, Netherlands (2009)
Friak, M.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Theory guided design of bcc Mg-Li alloys for ultra-light weight applications. ICSMA 15: International Conference on the Strength of Materials, Dresden, Germany (2009)
Ma, D.; Friák, M.; Raabe, D.; Neugebauer, J.: Multi-physical alloy approaches to solid solution strengthening of Al. 15th International Conference of Strength of Materials, Dresden, Germany (2009)
Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: The accuracy of first principles methods inpredicting thermodynamic properties of metals. XVIII International Material Research Conference, Cancun, Mexico (2009)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Fundamental materials-design limits in ultra light-weight Mg-Li alloys determined from ab initio calculations. Seminar in the Department of Low Dimensional Structures and Metastable Phases at the Max Planck Institute for Metals Research, Stuttgart, Germany (2009)
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys. Seminar in the Department of Strukture at the Institute of Physics of Materials of the Academy of Sciences of the Czech Republic and Institute of Chemistry of the Faculty of Sciences of Masaryk University, Brno, Czech Republic (2009)
Friák, M.; Sander, B.; Ma, D.; Counts, W. A.; Raabe, D.; Neugebauer, J.: Ab-initio based multi-scale approaches to the elasticity of polycrystals. Seminar at the Department of Physical Metallurgy and Materials Testing at Montan Universität Leoben, Leoben, Austria (2009)
Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers. Seminar at the Department of Materials Physics at Montan Universität Leoben, Leoben, Austria (2009)
Neugebauer, J.: Materials Design based on Ab Initio Thermodynamics: Status, Perspectives, and Trends. Colloquium Talk at Institut für Materialprüfung, Werkstoffkunde und Festigkeitslehre, Universität Stuttgart, Stuttgart, Germany (2009)
We have studied a nanocrystalline AlCrCuFeNiZn high-entropy alloy synthesized by ball milling followed by hot compaction at 600°C for 15 min at 650 MPa. X-ray diffraction reveals that the mechanically alloyed powder consists of a solid-solution body-centered cubic (bcc) matrix containing 12 vol.% face-centered cubic (fcc) phase. After hot compaction, it consists of 60 vol.% bcc and 40 vol.% fcc. Composition analysis by atom probe tomography shows that the material is not a homogeneous fcc–bcc solid solution
Magnetic properties of magnetocaloric materials is of utmost importance for their functional applications. In this project, we study the magnetic properties of different materials with the final goal to discover new magnetocaloric materials more suited for practical applications.
In this project, we work on a generic solution to design advanced high-entropy alloys (HEAs) with enhanced magnetic properties. By overturning the concept of stabilizing solid solutions in HEAs, we propose to render the massive solid solutions metastable and trigger spinodal decomposition. The motivation for starting from the HEA for this approach…
This study investigates the mechanical properties of liquid-encapsulated metallic microstructures created using a localized electrodeposition method. By encapsulating liquid within the complex metal microstructures, we explore how the liquid influences compressive and vibrational characteristics, particularly under varying temperatures and strain…
In this project we pursue recent developments in the field of austenitic steels with up to 18% reduced mass density. The alloys are based on the Fe-Mn-Al-C system.
Local lattice distortion is one of the core effects in complex concentrated alloys (CCAs). It has been expected that the strength CCAs can be improved by inducing larger local lattice distortions. In collaboration with experimentalists, we demonstrated that VCoNi has larger local lattice distortions and indeed has much better strength than the…
In this project, we work on the use of a combinatorial experimental approach to design advanced multicomponent multi-functional alloys with rapid alloy prototyping. We use rapid alloy prototyping to investigate five multicomponent Invar alloys with 5 at.% addition of Al, Cr, Cu, Mn and Si to a super Invar alloy (Fe63Ni32Co5; at.%), respectively…
The aim of the current study is to investigate electrochemical corrosion mechanisms by examining the metal-liquid nanointerfaces. To achieve this, corrosive fluids will be strategically trapped within metal structures using novel additive micro fabrication techniques. Subsequently, the nanointerfaces will be analyzed using cryo-atom probe…