Publications of J. Neugebauer

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. PAW workshop 2007, Goslar, Germany (2007)

Ismer, L.; Hickel, T.; Neugebauer, J.: Hydrogen in Mn-rich steels. PAW workshop 2007, Goslar, Germany (2007)

Kim, O.; Friák, M.; Neugebauer, J.: Ab-initio study of formation energies in steel and their relations to the solubility limits of carbon in austenite and ferrite. PAW workshop 2007, Goslar, Germany (2007)

Lymperakis, L.; Neugebauer, J.: Thermodynamics and kinetics of non-polar GaN surfaces. PAW workshop 2007, Goslar, Germany (2007)

Marquardt, O.; Hickel, T.; Neugebauer, J.: A plane-wave approach to real-space properties of semiconductor nanostructures: Electronic states, strain profiles and piezoelectric fields. PAW workshop 2007, Goslar, Germany (2007)

Todorova, M.; Neugebauer, J.: Thermodynamic aspects of corrosion: The E/pH diagram of Zinc. PAW workshop 2007, Goslar, Germany (2007)

Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformation of Ni_2MnGa shape memory alloy from first principles: The pre-martensitic transition. PAW workshop 2007, Goslar, Germany (2007)

von Pezold, J.; Neugebauer, J.: Hydrogen enhanced local plasticity - An Atomistic Study. PAW workshop 2007, Goslar, Germany (2007)

Pinto, H.; Petrov, M.; Friak, M.; Lymperakis, L.; Fabritius, H.; Neugebauer, J.; Raabe, D.; Pyzalla, A. R.: Residual Stresses in the Exoskeleton of a Homarus americanus Lobster. MECASENS IV, Wien (2007)

Uijttewaal, M.; Hickel, T.; Grabowski, B.; Neugebauer, J.: First ab initio determination of the phase transformation of Ni_{2}MnGa: The pre-martensitic transition. e-MRS 2007 Fall Meeting, Warsaw, Poland (2007)

Neugebauer, J.: First-principles calculations on CVD growth and doping in group-III-nitride semiconductors. EuroCVD16 - Sixteenth European Conference on Chemical Vapor Deposition, The Hague, The Netherlands (2007)

Grabowski, B.; Hickel, T.; Neugebauer, J.: From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Euromat 2007, European Congress on Advanced Materials and Processes, Nürnberg, Germany (2007)

Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Ab initio prediction of structural and thermodynamic properties of magnetic shape memory alloys. Euromat 2007, European Congress on Advanced Materials and Processes, Nürnberg, Germany (2007)

Lymperakis, L.; Neugebauer, J.: Ab-Initio Based Multiscale Calculations of Grain Boundaries in Aluminum. Euromat 2007, Nürnberg, Germany (2007)

Friák, M.; Neugebauer, J.: Ab initio study of the anomalous volume-composition effect in Fe–Al and Fe–Ga alloys. Euromat 2007, Nürnberg, Germany (2007)

Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti-based binaries for human implants. Euromat 2007, Nürnberg, Germany (2007)

Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in Ni_{2}MnGa: The pre-martensitic transition. Convention of the SPP 1239, Castle Eichholz in Wesseling, Germany (2007)

Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti-binaries for human implants. XVI. International Materials Research Congress, Cancun (Merrida), Mexico (2007)

Petrov, M.; Lymperakis, L.; Neugebauer, J.; Stefaniuk, R.; Dluzewski, P.: Nonlinear Elastic Effects in Group III-Nitrides: From ab-initio to Finite Element Calculation. 17th International Conference on Computer Methods in Mechanics CMM-2007, Spala, Poland (2007)

Petrov, M.; Lymperakis, L.; Neugebauer, J.; Stefaniuk, R.; Dluzewski, P.: Nonlinear Elastic Effects in Group III-Nitrides: From ab-initio to Finite Element Calculation. 17th International Conference on Computer Methods in Mechanics CMM-2007, Spala, Poland (2007)