Poster (185)
1801.
Poster
EPR parameters of the dangling bond defect in crystalline and amorphous silicon: A DFT-study. Euromat 2011, Montpellier, France (2011)
1802.
Poster
EPR parameters of the dangling bond defect in crystalline and amorphous silicon: A DFT-study. MultiScale Modelling of Amorphous Materials: From Structure to Mechanical Properties, Dublin, Ireland (2011)
1803.
Poster
Ab initio study of nano-precipitate nucleation and growth in ferritic steels. Psi-k/CECAM/CCP9 Biennial Graduate School in Electronic-Structure Methods, Oxford, UK (2011)
1804.
Poster
Integrating finite temperature magnetism into ab initio free energy calculations. Calphad XL, Rio de Janeiro, Brazil (2011)
1805.
Poster
Enhancing mechanical properties of calcite by Mg substitutions - A quantum-mechanical Study. 75. Annual Meeting of the DPG, Dresden, Germany (2011)
1806.
Poster
Continuum modeling of hydrogen embrittlement. Gordon conference "Physical Metallurgy", Easton, MA, USA (2011)
1807.
Poster
Integrating finite temperature magnetism into ab initio free energy calculations. TMS 2011 Annual Meeting, San Diego, CA, USA (2011)
1808.
Poster
Stabilisation of polar ZnO(0001) surfaces in dry and humid environment. FIESTAE - Frontiers in Interface Science: Theory and Experiment, Berlin, Germany (2011)
1809.
Poster
Ab initio study of nano-precipitate nucleation and growth in ferritic steels. Materials Discovery by Scale-Bridging High-Throughput Experimentation and Modelling, Ruhr-Universität Bochum, Bochum, Germany (2010)
1810.
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)
1811.
Poster
Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. 4. Wiener Biomaterialsymposium, Vienna, Austria (2010)
1812.
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)
1813.
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)
1814.
Poster
Superabundant vacancies in fcc Fe: A combination of ab-initio, thermodynamic and kinetic approaches. ADIS 2010 Meeting, Ringberg, Germany (2010)
1815.
Poster
Defects and diffusion mechanisms in FeAl. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
1816.
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)
1817.
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)
1818.
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)
1819.
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)
1820.
Poster
Accurate description of elastic properties of random alloys with minimum supercell sizes. Psi-k 2010 Conference, Berlin, Germany (2010)