Publications

Talk (1004)

1. 1401.
   MPG.PuRe
   Talk

   Neugebauer, J.: Ab initio Multiskalensimulationen zu Defekten und zum Wachstum von breitlückigen Halbleitern. SiC-Kolloquium, Universität Erlangen-Nürnberg (2005)

Poster (179)

1. 1402.
   MPG.PuRe
   Poster

   Peter, N. J.; Frolov, T.; Duarte, M. J.; Hadian, R.; Ophus, C.; Kirchlechner, C.; Liebscher, C.; Dehm, G.: Ag segregation induced nano-facet formation at an asymmetric Cu grain boundary. 2nd Materials Chain International Conference MCIC 2018, Bochum, Germany (2018)
2. 1403.
   MPG.PuRe
   Poster

   Li, Z.; Körmann, F.; Grabowski, B.; Neugebauer, J.; Raabe, D.: Ab initio assisted design of quinary dual-phase high-entropy alloys with transformation-induced plasticity. TMS 2018, Phoenix, AZ, USA (2018)
3. 1404.
   MPG.PuRe
   Poster

   Zendegani, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: Towards ab initio phase diagram of Fe–Nb: Importance of Magnon-Phonon coupling. DPG-Frühjahrstagung 2018, Berlin, Germany (2018)
4. 1405.
   MPG.PuRe
   Poster

   Bajaj, P.; Gupta, A.; Jägle, E. A.; Raabe, D.: Precipitation kinetics during non-linear heat treatment in Laser Additive Manufacturing. International Conference on Advanced Materials and Processes, ‘ADMAT 2017’ SkyMat, Thiruvananthapuram, India (2017)
5. 1406.
   MPG.PuRe
   Poster

   Surendralal, S.; Todorova, M.; Finnis, M. W.; Neugebauer, J.: Effect of external electric fields on the Mg(0001)/H₂O interface studied by empirical potentials using automated tools. The electrode potential in electrochemistry workshop - A challenge for electronic structure theory calculations, Castle Reisensburg (Ulm), Germany (2017)
6. 1407.
   MPG.PuRe
   Poster

   Surendralal, S.; Todorova, M.; Neugebauer, J.: Effect of external electric fields on the Mg(0001)/H₂O. High electric Fields in Electrochemistry and in Atom Probe Tomography - Workshop, Ringberg Castle, Tegernsee, Germany (2017)
7. 1408.
   MPG.PuRe
   Poster

   Surendralal, S.; Todorova, M.; Neugebauer, J.: The Mg(0001)/H₂O interface studied by empirical potentials and density functional. DPG-Frühjahrstagung 2017, Dresden, Germany (2017)
8. 1409.
   MPG.PuRe
   Poster

   Zendegani, A.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of magnetism on the stability of Laves phases in Fe–Nb alloys. DPG-Frühjahrstagung 2017, Dresden, Germany (2017)
9. 1410.
   MPG.PuRe
   Poster

   Dutta, B.; Hickel, T.; Neugebauer, J.: Investigation of point defects in Heusler alloys: An ab initio study. Bunsen Colloquium at Institute of Physical Chemistry, RWTH Aachen University, Aachen, Germany (2016)
10. 1411.
    MPG.PuRe
    Poster

    Dutta, B.; Hickel, T.; Olsen, R. J.; Larson, B. C.; Stocks, M.; Samolyuk, G. D.; Neugebauer, J.: Towards a microscopic understanding of lattice vibrations in disordered systems: implications for high entropy alloys. International Workshop on Ab initio Description of Iron and Steel: Mechanical Properties (ADIS 2016), Ringberg Castle, Tegernsee, Germany (2016)
11. 1412.
    MPG.PuRe
    Poster

    Dutta, B.; Körmann, F.; Alling, B.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Interaction of magnetic and lattice degrees of freedom. International Workshop on Ab initio Description of Iron and Steel: Mechanical Properties (ADIS 2016), Ringberg Castle, Tegernsee, Germany (2016)
12. 1413.
    MPG.PuRe
    Poster

    Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Welsch, E.; Herbig, M.; Friák, M.; Lipińska-Chwałek, M.; Hickel, T.; Scheu, C. et al.; Raabe, D.; Neugebauer, J.: Off-stoichiometric composition of κ carbide in Fe–Mn–Al–C steels: An ab-initio study combined with experiment. ADIS 2016 Workshop, Tegernsee, Germany (2016)
13. 1414.
    MPG.PuRe
    Poster

    Li, X.; Bottler, F.; Spatschek, R. P.; Scherf, A.; Heilmaier, M.; Stein, F.: Novel Lamellar in situ Composite Materials in the Al-Rich Part of the Fe-Al System. Int. Conf. The Materials Chain: From Discovery to Production, University Bochum, Bochum, Germany (2016)
14. 1415.
    MPG.PuRe
    Poster

    Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Thermodynamic properties of the quaternary Q phase in Al–Cu–Mg–Si: A combined ab-initio, phonon and compound energy formalism approach. The Materials Chain: From Discovery to Production, International Conference, Bochum, Germany (2016)
15. 1416.
    MPG.PuRe
    Poster

    Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The origin of anharmonicity in fcc solids. PSI-K Meeting 2015, San Sebastián, Spain (2015)
16. 1417.
    MPG.PuRe
    Poster

    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Workshop on Charged Systems and Solid/Liquid Interfaces, University of California , Santa Barbara, USA (2015)
17. 1418.
    MPG.PuRe
    Poster

    Cheng, S.-T.: Ab-initio study on the corrosion of pure Mg and Mg-Zn systems. Faraday Discussions Corrosion Chemistry Meeting of the Royal Society of Chemistry, London, UK (2015)
18. 1419.
    MPG.PuRe
    Poster

    Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Breakdown of the Arrhenius Law in Describing Vacancy Formation Energies. Nothing is Perfect 2015, Ascona, Switzerland (2015)
19. 1420.
    MPG.PuRe
    Poster

    Dutta, B.; Körmann, F.; Hickel, T.; Ghosh, S.; Sanyal, B.; Neugebauer, J.: The itinerant coherent potential approximation for phonons: role of fluctuations for systems with magnetic disorder. TMS 2015, Orlando, FL, USA (2015)