Publications of J. Neugebauer

Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Fully ab initio supercell corrections for charged defects. APS march meeting, Pittsburgh, PA, USA (2009)

Neugebauer, J.: Materials design based on ab initio thermodynamics: Development of accurate and efficient multiscale strategies. IWOM3 – International Workshop on Multiscale Materials Modeling, Berlin, Germany (2009)

Lymperakis, L.; Neugebauer, J.: Large anisotropic adatom kinetics on nonpolar GaN surfaces: Consequences on nanowire growth. PDI Topical Workshop on MBE-grown Nitride Nanowires, Berlin, Germany (2009)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. APS March Meeting, Pittsburgh, PA, USA (2009)

Raabe, D.; Neugebauer, J.; Roters, F.; Eisenlohr, P.; Friák, M.; Nikolov, S.; Fabritius, H.; Petrov, M.; Counts, W. A.; Ma, D. et al.; Lymperakis, L.: Multiscale Modeling of the Mechanics of Metallic and Biological Polycrystals using Ab Initio and Continuum Methods. MMCM 2009 Colloquium on Multiscale Methods in Computational Mechanics, Rolduc, The Netherlands (2009)

Hickel, T.; Uijttewaal, M.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in magnetic shape memory Heusler alloys. SPP 1239 Convention, Duisburg, Germany (2009)

Hickel, T.; Dick, A.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Ab initio steel design: Achievements and challenges. Scientific Advisory Board Meeting 2009, MPI für Eisenforschung GmbH, Düsseldorf, Düsseldorf, Germany (2009)

Fabritius, H.; Hild, S.; Nikolov, S.; Ziegler, A.; Raabe, D.; Friák, M.; Neugebauer, J.: Variations in the constructional morphology of crustacean skeletal elements at different hierarchical levels. Third International Conference on Mechanics of Biomaterials & Tissues ICMOBT 2009, Clearwater, FL, USA (2009)

Fabritius, H.; Ziegler, A.; Hild, S.; Nikolov, S.; Petrov, M.; Sachs, C.; Lymperakis, L.; Friák, M.; Neugebauer, J.; Raabe, D.: Extremal stiffness of crustacean cuticle through hierarchical optimization: Experiments and modeling from ab initio to macroscale. PLASTICITY 2009, St. Thomas, Virgin Islands, USA (2009)

Ma, D.; Friák, M.; Knezevic, M.; Kalidindi, S. R.; Lebensohn, R. A.; Roters, F.; Neugebauer, J.; Raabe, D.: Polycrystal coarse graining of elastic properties for Ti-Nb biomedical grades using ab-initio single crystal elastic constants. International Plasticity Conference 2009, Virgin Islands, USA (2009)

Nikolov, S.; Sachs, C.; Fabritius, H.; Raabe, D.; Petrov, M.; Friák, M.; Neugebauer, J.: Modeling of the mechanical properties of lobster cuticle from ab initio to macroscale: How nature designs multifunctional composites with optimal properties. International Plasticity Conference 2009, Virgin Islands, USA (2009)

Hickel, T.; Neugebauer, J.: Ab-initio simulation of hydrogen in metals. ICAMS Seminar, ICAMS Bochum, Germany (2008)

Petrov, M.; Friák, M.; Lymperakis, L.; Raabe, D.; Neugebauer, J.: Atomic Structure and Elastic Anisotropy of Crystalline α-chitin: An Ab-initio Based Conformational Analysis. MRS Fall Conference 2008, Boston, MA, USA (2008)

Counts, W. A.; Friák, M.; Battaile, C.; Raabe, D.; Neugebauer, J.: Multiscale Prediction of Polycrystal Elastic Properties of Ultralight Weight Mg-Li Alloys using Ab Initio and FEM Approaches. MRS Fall Conference 2008, Boston, MA, USA (2008)

Friák, M.; Deges, J.; Stein, F.; Palm, M.; Frommeyer, G.; Neugebauer, J.: Ab inito study on elastic properties of Fe₃Al-based alloys. MRS Fall Meeting 2008, Boston, MA, USA (2008)

Knezevic, M.; Ma, D.; Raabe, D.; Kalidindi, S. R.; Friák, M.; Neugebauer, J.: Application of Spectral Methods for Anisotropy Design of Ti-Nb Polycrystals for Biomedical Applications based on ab Initio Elastic Single Crystal Constants and Fast Fourier Homogenization. MRS Fall Conference 2008, Boston, MA, USA (2008)

Lymperakis, L.; Neugebauer, J.: Ab-initio based growth simulations of GaN based nanowires. MRS fall meeting, Boston, MA, USA (2008)

Nikolov, S.; Petrov, M.; Friák, M.; Raabe, D.; Sachs, C.; Fabritius, H.; Neugebauer, J.; Lymperakis, L.: Hierarchical Modeling of the Elastic Properties of Lobster Cuticle via Ab Initio Calculations and Mean-field Homogenization. MRS Fall Conference 2008, Boston, MA, USA (2008)

Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: Ground-state structure and elastic anisotropy of crystalline alpha-chitin: An ab-initio based conformational analysis. Materials Research Society meeting (MRS), Boston, MA, USA (2008)

Nikolov, S.; Petrov, M.; Friák, M.; Sachs, C.; Fabritius, H.; Raabe, D.; Neugebauer, J.; Lymperakis, L.: Multiscale Modelling of the Elastic Properties of Biological Polymer-Based Nanocomposites with Hierarchical Microstructure: The Lobster Cuticle. 3rd International Conference on Polymer Behaviour, Marrakech, Morocco (2008)