Publications of Jörg Neugebauer

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of ions in water: An ab initio molecular dynamics study. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)

Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q phase in Al–Cu–Mg–Si. Calphad XLIV, Loano, Italy (2015)

Zendegani, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q-phase in Al–Cu–Mg–Si. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)

Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin films on Cu(001). 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)

Fabritius, H.-O.; Janus, A. M.; Wu, X.; Nikolov, S.; Eisenlohr, P.; Friák, M.; Neugebauer, J.; Raabe, D.: Structure-property Relations in the Arthropod Exoskeleton, a Multifunctional Biological Composite. Materials Science & Technology (MS&T) 2014, Pittsburgh, PA, USA (2014)

Raabe, D.; Ponge, D.; Gutiérrez-Urrutia, I.; Springer, H.; Kuzmina, M.; Hickel, T.; Welsch, E.; Haghighat, S. M. H.; Sandlöbes, S.; Choi, P.-P. et al.; Neugebauer, J.: Designing bulk nanostructured high manganese steels by intregrating advanced characteriation and ab initio modeling. 2nd International Conference on High Manganese Steels - HMnS 2014, Aachen, Germany (2014)

Hickel, T.; Glensk, A.; Nazarov, R.; Sözen, H. I.; Grabowski, B.; Neugebauer, J.: Ab initio determination of point defects and derived diffusion properties in metals. International conference on diffusion in materials, DIMAT2014, Münster, Germany (2014)

Haghighat, S. M. H.; Raabe, D.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Schäublin, R.; Neugebauer, J.; Eggeler, G. F.: Recent development of modelling techniques in nano- and meso-scale simulations of dislocation dynamics. Workshop on Integrated Computational Materials Engineering (ICME), Rolduc Abbey, The Netherlands (2014)

Neugebauer, J.: Efficient coarse graining of stochastic high-dimensional configuration spaces as fundament for a fully ab initio based materials design. Colloquium WIAS, Berlin, Germany (2014)

Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. SteelyHydrogen 2014, International conference on hydrogen in steels, Ghent, Belgium (2014)

Hickel, T.; Nazarov, R.; McEniry, E.; Dey, P.; Neugebauer, J.: Impact of light elements on interface properties in steels. CECAM workshop “Modeling Metal Failure Across Multiple Scales”, Lausanne, Switzerland (2014)

Hickel, T.; Körmann, F.; Bleskov, I.; Neugebauer, J.: Ab Initio Based Modelling of Stacking Fault Energies in High-Strength Steels. International Seminar on Process Chain Simulation and Related Topics, Karlsruhe, Germany (2014)

Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Spatschek, R. P.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. TMS Annual Meeting 2014, San Diego, CA, USA (2014)

Bleskov, I.; Hickel, T.; Neugebauer, J.: Impact of Local Magnetism on Stacking Fault Energies: A First Principles Investigation for fcc Iron. Condensed Matter - Université Paris Descartes, Paris, France (2014)

Bleskov, I.; Hickel, T.; Neugebauer, J.: Impact of Local Magnetism on Stacking Fault Energies: A First Principles Investigation for fcc Iron. TMS 2014, San Diego, CA, USA (2014)

Dey, P.; Nazarov, R.; Hickel, T.; Neugebauer, J.: Ab-initio study of hydrogen trapping by kappa-carbides in an austenitic Fe matrix. DPG Frühjahrstagung, Dresden, Germany (2014)

Dey, P.; Nazarov, R.; Hickel, T.; Neugebauer, J.; Haley, D.; Choi, P.-P.; Evertz, T.; Georgeou, Z.; Mirković, D.; Klose, F.: Hydrogen-carbide interactions in steels: Ab-initio calculations combined with experiment. Steel & Hydrogen, 2nd International Conference on Metals and Hydrogen, Gent, Belgium (2014)

Dutta, B.; Hickel, T.; Neugebauer, J.: Coupling of lattice dynamics and magnetism in magnetic shape memory alloys: Consequences for phase diagrams. Asia Sweden meeting on understanding functional materials from lattice dynamics (ASMFLD) conference, Indian Institute of technology Guwahati, Guwahati, India (2014)

Dutta, B.; Hickel, T.; Neugebauer, J.: Interface-related phenomena in coupled direct and inverse magneto-caloric materials: A first-principles study. DPG Frühjahrstagung, Dresden, Germany (2014)

Freysoldt, C.; Neugebauer, J.: Point defects in supercells: Correction schemes for the dilute limit. Workshop on Ab-initio description of charged systems and solid/liquid interfaces , Santa Barbara, CA, USA (2014)