Publications of J. Neugebauer

Neugebauer, J.: Ab initio guided materials characterization and design. Science Vision for the European Spallation Source, Bad Reichenhall, Germany (2011)

Fabritius, H.; Karsten, S.; Nikolov, S.; Hild, S.; Ziegler, A.; Friák, M.; Elstnerová, P.; Neugebauer, J.; Raabe, D.: Function-related variations in the design principles of cuticle forming the exoskeleton of Crustacea. Euromat 2011 Conference, Montpellier, France (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)

Haghighat, S. M. H.; von Pezold, J.; Schäublin, R.; Neugebauer, J.; Raabe, D.: Atomistic modeling of the mobility of the ½a₀<111> screw dislocation in iron. E-MRS Fall Meeting, Warsaw, Poland (2011)

Hickel, T.; Ismer, L.; Nazarov, R.; von Pezold, J.; Friák, M.; Neugebauer, J.: Ab initio investigation of hydrogen solubility and mobility in steels: Indentification of hydrogen related mechanisms in steels. Steel Hydrogen Conference, Gent, Belgium (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)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab-initio based thermodynamics and kinetics of superabundant vacancies in fcc. ICMM, Paris, 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)

Körmann, F.; Dick, A.; Fries, S.; Palumbo, M.; Hickel, T.; Neugebauer, J.: Magnetic Systems studied by first-principles thermodynamics. ICAMS Scientific Retreat, Akademie Biggesee, Attendorn, Germany (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)

Duff, A.; Lymperakis, L.; Neugebauer, J.: Ab-initio based growth simulations of Ga- and N- polar InGaN surfaces: A comparitive study. CM-Workshop, Akademie Biggesee, Attendorn, Germany (2011)

Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A Quantum-Mechanical Study. CM-Workshop, Attendorn, Germany (2011)

Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Magnetic systems studied by first-principles thermodynamics. CM Workshop, Akademie Biggesee, Attendorn, Germany (2011)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Thermodynamics and kinetics of hydrogen interaction with point defects. CM-Workshop, Attendorn, Germany (2011)

Todorova, M.; Neugebauer, J.: Role of vibrational contributions for the elastic properties of hexagonal ice. CM-Workshop, Attendorn, Germany (2011)

Zhu, L.-F.; Friák, M.; Dick, A.; Udyansky, A.; Neugebauer, J.: First principles study on Fe-Ti alloys. 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)