Publications of J. Neugebauer

Neugebauer, J.: Materials design based on ab initio thermodynamics. Harnessing the Materials Genome 2012, Vail, CO, USA (2012)

Neugebauer, J.: Ab initio computation of free energies. MDWS1: Workshop on Quantum and Atomistic Modeling of Materials Defects, Los Angeles, CA, USA (2012)

Roters, F.; Diehl, M.; Eisenlohr, P.; Sandlöbes, S.; Friák, M.; Pei, Z.; Zhu, L.-F.; Neugebauer, J.; Raabe, D.: Combined Experimental and Theoretical Study on the Ductilizing Effect of Rare Earth Elements in Magnesium Alloys. MMM2012, 6th International Conference on Multiscale Materials Modeling, Singapore City, Singapore (2012)

Schulz, T.; Remmele, T.; Markurt, T.; Korytov, M.; Albrecht, M.; Duff, A.; Lymperakis, L.; Neugebauer, J.: Alloy fluctuations in III-Nitrides revisited by aberration corrected transmission electron microscopy. International Workshop on Nitride Semiconductors 2012, Sapporo, Japan (2012)

Körmann, F.; Grabowski, B.; Dutta, B.; Hickel, T.; Neugebauer, J.: Thermodynamics of PM Fcc Iron - First steps and preliminary results. 3rd Scientific Retreat, ICAMS, Münster, Germany (2012)

Spatschek, R.; Korbmacher, D.; von Pezold, J.; Hüter, C.; Brinckmann, S.; Neugebauer, J.: Scale bridging modeling of hydrogen embrittlement. ICAMS Klausurtagung, Münster, Germany (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Consequences of H-Vacancy Interactions: An Ab Initio Insight. International Hydrogen Conference, Jackson Lake Lodge, Moran, WY, USA (2012)

Neugebauer, J.: Introduction to Density Functional Theory from a Materials Science Perspective. IPAM Workshop, Los Angeles, CA, USA (2012)

Neugebauer, J.: Understanding H-embrittlement in high-strength steels by ab initio methods. 2012 International Hydrogen Conference, Moran, WY, USA (2012)

Neugebauer, J.: Fully ab initio determination of materials properties at finite temperatures. ECMPCA, Porto Heli, Greece (2012)

Neugebauer, J.: Density functional theory: From the chemical bond to microstructural information. Workshop Multiscale Material Modeling 2012, Bad Herrenalb, Germany (2012)

Race, C. P.; von Pezold, J.; Neugebauer, J.: Simulations of Grain Boundary Migration via the Nucleation and Growth of Islands. MSE Congress 2012, Darmstadt, Germany (2012)

Albrecht, M.; Markurt, T.; Schulz, T.; Lymperakis, L.; Duff, A.; Neugebauer, J.; Drechsel, P.; Stauss, P.: Dislocation Mechanisms and Strain Relaxation in the Growth of GaN on Silicon Substrates for Solid State Lighting. International Conference on Extended Defects in Semiconductors, Thessaloniki, Greek (2012)

Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Advancing ab initio methods to finite temperatures: The opening of new routes in materials design. Seminar Talk at Institute on Quantum Materials Science, Yekaterinburg, Russia (2012)

Lymperakis, L.; Albrecht, M.; Neugebauer, J.: Excitonic emission from a-type screw dislocations in GaN. International Conference on Extended Defects in Semiconductors, Thessaloniki, Greek (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Accelerated self-diffusion in fcc metals due to H induced superabundant vacancies. DSL 2012 Conference, Istanbul, Turkey (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: H adsorption and absorption on/in carbides. HYDRAMICROS Workshop, Duisburg, Germany (2012)

Neugebauer, J.: Vacancy concentrations from 0K to the melting temperature in unary fcc metals: Discovery of large non-Arrhenius effects. CALPHAD 2012 Meeting, Berkeley, CA, USA (2012)

Raabe, D.; Ponge, D.; Choi, P.; Millán, J.; Sandlöbes, S.; Yuan, L.; Tasan, C. C.; Plancher, E.; Zaefferer, S.; Hickel, T. et al.; Friak, M.; Dick, A.; Inden, G.; Neugebauer, J.: Designing nanostructured metallic bulk alloys via first principles simulations and atomic scale characterization: The basis of modern manufacturing. NIMS Conference 2012, Tsukuba, Japan (2012)

Dick, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Thermodynamic properties of cementite including magnetic, vibronic, and electronic excitations from ab initio. TMS Annual meeting 2012, Orlando, FL, USA (2012)