Neugebauer, J.: Ab initio guided materials characterization and design. Science Vision for the European Spallation Source, Bad Reichenhall, Germany (2011)
Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A Quantum-Mechanical Study. 12th International Symposium on Physics of Materials, Prague, Czech Republic (2011)
Neugebauer, J.: Ab initio based modeling of structural materials with superior properties: From a predictive thermodynamic description to tailored mechanical properties. EUROMAT 2011, Montpellier, France (2011)
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: The Dangling-Bond Defect in Amorphous Silicon: Statistical Random Versus Kinetically Driven Defect Geometries. 24th International Conference on Amorphous and Nanocrystalline Semiconductors (ICANS 24), Nara, Japan (2011)
Gutierrez-Urrutia, I.; Dick, A.; Hickel, T.; Neugebauer, J.; Raabe, D.: Understanding TWIP steel microstructures by using advanced electron microscopy and ab initio predictions. International Conference on Processing & Manufacturing of Advanced Materials THERMEC 2011, Québec City, QC, Canada (2011)
Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Chemical Trends for Phase Transitions in Magnetic Shape Memory Alloys Derived from First Principles. International Conference on Ferromagnetic Shape-Memory Alloys, ICFSMA’11, Dresden, Germany (2011)
Nazarov, R.; Hickel, T.; Neugebauer, J.: H solubility in different steel phases: Influence of alloying elements and strain. HYDRAMICROS Workshop, Otaniemi, Finland (2011)
Duff, A.; Lymperakis, L.; Neugebauer, J.: Ab-initio based comparitive study of In incorporation and surface segregation on III- and N-face {0001} InGaN surfaces. 9th International Conference of Nitride Semi-Conductors, Glasgow, UK (2011)
Nazarov, R.; Hickel, T.; Neugebauer, J.: Thermodynamics and kinetics of hydrogen interaction with point defects. CM-Workshop, Attendorn, Germany (2011)
Fabritius, H.; Nikolov, S.; Hild, S.; Ziegler, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Design principles of crustacean cuticle: From molecules to skeletal elements. Workshop „From Nanoparticle Assembly to Functional Polymer Components” at Department of Geo- and Environmental Sciences, LMU, München, Germany (2011)
In this project, we aim to achieve an atomic scale understanding about the structure and phase transformation process in the dual-phase high-entropy alloys (HEAs) with transformation induced plasticity (TRIP) effect. Aberration-corrected scanning transmission electron microscopy (TEM) techniques are being applied ...
The aim of this project is to correlate the point defect structure of Fe1-xO to its mechanical, electrical and catalytic properties. Systematic stoichiometric variation of magnetron-sputtered Fe1-xO thin films are investigated regarding structural analysis by transition electron microscopy (TEM) and spectroscopy methods, which can reveal the defect…
Nickel-based alloys are a particularly interesting class of materials due to their specific properties such as high-temperature strength, low-temperature ductility and toughness, oxidation resistance, hot-corrosion resistance, and weldability, becoming potential candidates for high-performance components that require corrosion resistance and good…
In this project, we investigate the phase transformation and twinning mechanisms in a typical interstitial high-entropy alloy (iHEA) via in-situ and interrupted in-situ tensile testing ...
Femtosecond laser pulse sequences offer a way to explore the ultrafast dynamics of charge density waves. Designing specific pulse sequences may allow us to guide the system's trajectory through the potential energy surface and achieve precise control over processes at surfaces.
The aim of this project is to develop novel nanostructured Fe-Co-Ti-X (X = Si, Ge, Sn) compositionally complex alloys (CCAs) with adjustable magnetic properties by tailoring microstructure and phase constituents through compositional and process tuning. The key aspect of this work is to build a fundamental understanding of the correlation between…
Solitonic excitations with topological properties in charge density waves may be used as information carriers in novel types of information processing.
In this project, links are being established between local chemical variation and the mechanical response of laser-processed metallic alloys and advanced materials.