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Conference Paper (22)

281.
Conference Paper
Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of Magnetism on the Stability of Topologically Close-packed (TCP) Phases in Fe–Nb Alloys. In: Proc. Intermetallics 2017, pp. 89 - 90 (Eds. Heilmaier, M.; Krüger, M.; Mayer, S.; Palm, M.; Stein, F.). Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany, October 02, 2017 - October 06, 2017. Proc. Intermetallics 2017, Jena, Germany (2017)
282.
Conference Paper
Katnagallu, S.; Nematollahi, G. A.; Dagan, M.; Moody, M. P.; Grabowski, B.; Gault, B.; Raabe, D.; Neugebauer, J.: High Fidelity Reconstruction of Experimental Field Ion Microscopy Data by Atomic Relaxation Simulations. In: Proceedings of Microscopy & Microanaalysis 2017, Vol. 23, pp. 642 - 643. Microscopy and Microanalysis 2017, St. Louis, MO, USA, August 06, 2017 - August 10, 2017. Cambridge University Press, New York, NY, USA (2017)
283.
Conference Paper
Fultz, B. T.; Mauger, L.; Körmann, F.; Grabowski, B.; Lucas, M. S.; Muñoz, J. A.; Tracy, S. J.; Dutta, B.; Hickel, T.; Neugebauer, J.: Stabilization of bcc iron by magnon-phonon interactions. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 709 - 710 (Eds. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
284.
Conference Paper
Huber, L.; Grabowski, B.; Militzer, M.; Neugebauer, J.; Rottler, J.: Multi-scale quantum mechanical calculations of solute-grain boundary interaction. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 779 - 784 (Eds. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, British Columbia (2015)
285.
Conference Paper
Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Duff, A.; Finnis, M. W.; Neugebauer, J.: Ab initio description of the Ti BCC to ω transition at finite temperatures. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 755 - 756 (Eds. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)
286.
Conference Paper
Neugebauer, J.; Glensk, A.; Leyson, G. P. M.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio description of finite temperature phase stabilities and transformations. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, pp. 751 - 752 (Eds. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, June 28, 2015 - July 03, 2015. PTM 2015, Whistler, British Columbia (2015)
287.
Conference Paper
Friák, M.; Zhu, L.-F.; Lymperakis, L.; Titrian, H.; Aydin, U.; Janus, A. M.; Fabritius, H.-O.; Ziegler, A. S.; Nikolov, S. D.; Hemzalová, P. et al.; Raabe, D.; Neugebauer, J.: Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. In: Key Engineering Materials, Vol. 592-593, pp. 335 - 341. 7th International Conference on Materials Structure and Micromechanics of Fracture (MSMF 7), Brno, Czech Republic, July 01, 2013 - July 03, 2013. (2014)
288.
Conference Paper
Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Yi, S.; Letzig, D.; Pei, Z.; Zhu, L.-F.; Neugebauer, J.; Raabe, D.: Complementary TEM and ab ignition study on the ductilizing effect of Y in solid solution Mg–Y alloys. In: Proceedings of the 9th Intern. Conference on Magnesium alloys and their applications, pp. 467 - 472. 9th Intern. Conference on Magnesium alloys and their applications, Vancouver, Canada, July 08, 2012 - July 12, 2012. (2012)
289.
Conference Paper
Hickel, T.; Nazarov, R.; von Pezold, J.; Friák, M.; Neugebauer, J.; Ismer, L.: Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, September 28, 2011. (2011)
290.
Conference Paper
Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 105, pp. 22 - 50 (2011)
291.
Conference Paper
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Electrostatic interactions between charged defects in supercells. CECAM Workshop, Lausanne, Switzerland, June 08, 2009 - June 10, 2009. Physica Status Solidi B 248 (5), pp. 1067 - 1076 (2011)
292.
Conference Paper
Marquardt, O.; Schulz, S.; O’Reilly, E. P.; Freysoldt, C.; Boeck, S.; Hickel, T.; Neugebauer, J.: A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, September 05, 2011 - September 08, 2011., (2011)
293.
Conference Paper
Petrov, M.; Holec, D.; Lymperakis, L.; Neugebauer, J.; Humphreys, C. J.: Strain-induced effects on the electronic structure and N K-edge ELNES of wurtzite AlN and AlxGa1-xN. 17th International Conference on Microscopy of Semiconducting Materials 2011, University of Cambridge, UK, April 04, 2011 - April 07, 2011. Journal of Physics Conference Series 326, pp. 012016-1 - 012016-5 (2011)
294.
Conference Paper
Sandlöbes, S.; Schestakow, I.; Yi, S. B.; Zaefferer, S.; Chen, J.; Friák, M.; Neugebauer, J.; Raabe, D.: The relation between shear banding, microstructure and mechanical properties in Mg and Mg–Y alloys. 5th International Conference on Light Metals Technology V, Lüneburg, Germany, July 19, 2011 - July 22, 2011. Materials Science Forum 690, pp. 202 - 205 (2011)
295.
Conference Paper
Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys. (2009)
296.
Conference Paper
Friák, M.; Deges, J.; Stein, F.; Palm, M.; Frommeyer, G.; Neugebauer, J.: Ab Initio Study of Elastic Properties in Fe3Al-Based Alloys. In: 2008 Materials Research Society Symposium Proceedings, Vol. 1128, pp. 59 - 64. Symposium on Advanced Intermetallic-Based Alloys for Extreme Environment and Energy Applications held at the 2008 MRS Fall Meeting, Boston, MA, USA, December 01, 2008 - December 05, 2008. (2009)
297.
Conference Paper
Friák, M.; Sander, B.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti-based binaries for human implants. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, June 12, 2007 - June 14, 2007. Journal of Physics-Condensed Matter (6), 064221, (2008)
298.
Conference Paper
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, June 12, 2007 - June 14, 2007. Journal of Physics-Condensed Matter (6), 064219, (2008)
299.
Conference Paper
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in Ni2MnGa. MRS Fall Meeting 2007, Boston, MA, USA, November 26, 2007 - November 30, 2007. Magnetic Shape Memory Alloys, (2008)
300.
Conference Paper
Nikolov, S.; Sachs, C.; Fabritius, H.; Raabe, D.; Petrov, M.; Friak, M.; Neugebauer, J.; Lymperakis, L.; Ma, D.: Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure. In: Proceedings of MMM 2008 "Computational Modeling of biological and soft condensed matter systems", pp. 667 - 670. 4th International Conference on Multiscale Materials Modeling, Tallahassee, FL, USA, October 27, 2008 - October 31, 2008. Dep. of Scientific Computing, Florida State University, USA (2008)
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