Publikationen von J. Neugebauer
Alle Typen
Poster (166)
1341.
Poster
High-Throughput Computation: The solution enthalpy of hydrogen in 3d metals derived from first principles. International workshop on Materials Discovery by Scale-Bridging High-Throughput, Bochum, Germany (2010)
1342.
Poster
Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. 4. Wiener Biomaterialsymposium, Vienna, Austria (2010)
1343.
Poster
Ab initio and kinetic Monte-Carlo study of nano-precipitate nucleation and growth in ferritic steels. Materials Discovery by Scale-Bridging High-Throughput Experimentation and Modelling, Bochum, Germany (2010)
1344.
Poster
The solution enthalpy of hydrogen derived from first principles along the series of 3d metals. Ab initio description of Iron and Steel: Mechanical Properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
1345.
Poster
Superabundant vacancies in fcc Fe: A combination of ab-initio, thermodynamic and kinetic approaches. ADIS 2010 Meeting, Ringberg, Germany (2010)
1346.
Poster
Kinetic Monte Carlo and ab initio study of nano-precipitates and growth in ferritic steels. Ab Initio Description of Iron and Steel: Mechanical Properties, Tegernsee, Germany (2010)
1347.
Poster
Martensite formation in dilute Fe-based solid solutions: Ab initio based multi-scale approach. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
1348.
Poster
Martensite formation in dilute Fe-based solid solutions: Ab initio based multi-scale approach. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
1349.
Poster
Quantum-mechanics-based study of multi-scale elastic properties of hierarchical biocomposites. Prospects of bionics for functional Materials Science, Montan University Leoben, Leoben, Austria (2010)
1350.
Poster
Accurate description of elastic properties of random alloys with minimum supercell sizes. Psi-k 2010 Conference, Berlin, Germany (2010)
1351.
Poster
The influence of interstitial carbon on the stacking fault energy of Fe based materials. Psi-k Conference 2010, Berlin, Germany (2010)
1352.
Poster
Enhancing mechanical properties of calcite by Mg substitutions: An ab initio study. Psi-k Conference 2010, Berlin, Germany (2010)
1353.
Poster
Ab initio based study of multi-scale elastic properties of hierarchical biocomposites. Psi_k Conference 2010, Berlin, Germany (2010)
1354.
Poster
Fully ab initio based determination of magnetic contributions to the free energy of metals. Psi-k Conference 2010, Berlin, Germany (2010)
1355.
Poster
Constructing optimized atomic basis-sets with PW accuracy. Psi-k Conference 2010, Berlin, Germany (2010)
1356.
Poster
Superabundant vacancies in fcc Fe: A combination of ab-initio, thermodynamic and kinetic approaches. Psi-k Conference 2010, Berlin, Germany (2010)
1357.
Poster
EPR hyperfine tensors of the dangling bond defect in crystalline and amorphous silicon. Psi-k Conference 2010, Berlin, Germany (2010)
1358.
Poster
Order/disorder transition of defects in ferrite: Ab initio based multi-scale approach. Psi-k 2010 Conference, Ab initio calculations of processes in materials and (bio)molecules, Berlin, Germany (2010)
1359.
Poster
First principles study of thermodynamic, structural and elastic properties of eutectic Ti–Fe alloys. Psik-2010 Conference, Berlin, Germany (2010)
1360.
Poster
Identification of fundamental materials-design limits in ultra light-weight Mg–Li alloys via quantum-mechanical calculations. Materials Science and Engineering 2010, Darmstadt, Germany (2010)