Publications

Conference Paper (28)

1. 381.
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   Landa, A.; Söderlind, P.; Grabowski, B.; Patrice, E. A.; Turchi, A.; Ruban, A. V.; Vitos, L.: Ab Initio Study of Advanced Metallic Nuclear Fuels for Fast Breeder Reactors. In: Materials Research Society Proceedings, Vol. 1444. 2012 MRS Spring Meeting, San Francisco, CA, USA, April 09, 2012 - April 13, 2012. (2012)
2. 382.
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   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)
3. 383.
   MPG.PuRe
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   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)
4. 384.
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   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)
5. 385.
   MPG.PuRe

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   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)
6. 386.
   MPG.PuRe

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   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)
7. 387.
   MPG.PuRe

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   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)
8. 388.
   MPG.PuRe

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   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)
9. 389.
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   Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab initio determined materials-design limits in ultra light-weight Mg-Li alloys. (2009)
10. 390.
    MPG.PuRe

    DOI
    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)
11. 391.
    MPG.PuRe
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    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), (2008)
12. 392.
    MPG.PuRe
    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), (2008)
13. 393.
    MPG.PuRe

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    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)
14. 394.
    MPG.PuRe
    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)

Meeting Abstract (2)

1. 395.
   MPG.PuRe
   Meeting Abstract

   Kenmoe, S.; Todorova, M.; Biedermann, P. U.; Neugebauer, J.: Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In: APS March Meeting 2014, abstract #Q2.009. APS March Meeting 2014 , Denver, CO, USA, March 03, 2014 - March 07, 2014. (2014)
2. 396.
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   Meeting Abstract

   Kenmoe, S.; Todorova, M.; Biedermann, P. U.; Neugebauer, J.: Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In: DPG Spring Meeting 2014, Abstract: O50.6. DPG Spring Meeting 2014 , Dresden, Germany, March 30, 2014 - April 04, 2015. (2014)

Talk (1004)

1. 397.
   MPG.PuRe
   Talk

   Seol, J. B.; Ko, W.-S.; Bae, J. W.; Jo, Y. H.; Li, Z.; Choi, P.-P.; Raabe, D.; Kim, H. S.: Transition in boron boundary cohesion from effectiveness to harmfulness with respect to application temperatures: high-entropy alloys and Ni-based superalloys. 2nd International Conference on High-Entropy Materials (ICHEM 2018), Jeju, South Korea (2018)
2. 398.
   MPG.PuRe
   Talk

   Neugebauer, J.: High entropy alloys beyond configurational entropy. MRS 2018 Conference, Boston, MA, USA (2018)
3. 399.
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   Talk

   Hadian, R.: Grain boundary dynamics. MMM 2018 (Multiscale Materials Modeling), Osaka, Japan (2018)
4. 400.
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   Neugebauer, J.: Exploration of large ab initio data spaces to design structural materials with superior mechanical properties. Multiscale Materials Modeling (MMM 2018) Conference, Osaka, Japan (2018)