Publications

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Journal Article (4)

  1. 1.
    Journal Article
    Spatschek, R. P.; Gobbi, G.; Hüter, C.; Chakrabarty, A.; Aydin, U.; Brinckmann, S.; Neugebauer, J.: Scale bridging description of coherent phase equilibria in the presence of surfaces and interfaces. Physical Review B 94 (13), 134106 (2016)
  2. 2.
    Journal Article
    Zhu, L.-F.; Friák, M.; 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.: Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. Journal of the Mechanical Behavior of Biomedical Materials 20, pp. 296 - 304 (2013)
  3. 3.
    Journal Article
    Titrian, H.; Aydin, U.; Friák, M.; Ma, D.; Raabe, D.; Neugebauer, J.: Self-consistent scale-bridging approach to compute the elasticity of multi-phase polycrystalline materials. Materials Research Society Symposia Proceedings 1524, pp. 17 - 23 (2013)
  4. 4.
    Journal Article
    Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Solution enthalpy of hydrogen in fourth row elements: Systematic trends derived from first principles. Physical Review B 85 (15), pp. 155144-1 - 155144-10 (2012)

Conference Paper (1)

  1. 5.
    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)

Talk (13)

  1. 6.
    Talk
    Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. SteelyHydrogen 2014, International conference on hydrogen in steels, Ghent, Belgium (2014)
  2. 7.
    Talk
    Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. Workshop on Hydrogen Embrittlement, Düsseldorf, Germany (2014)
  3. 8.
    Talk
    Friák, M.; Titrian, H.; Aydin, U.; Raabe, D.; Neugebauer, J.: Self-consistent scale-bridging approach to compute the elasticity of multi-phase polycrystals. DPG Frühjahrstagung, Regensburg, Germany (2013)
  4. 9.
    Talk
    Aydin, U.; Hickel, T.; Neugebauer, J.: Solution enthalpy of hydrogen in 3d transition metals and neighboring elements. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)
  5. 10.
    Talk
    Aydin, U.; Boeck, S.; Hickel, T.; Neugebauer, J.: Hydrogen solution enthalpies derived from first principles: Chemical trends along the series of transition metals. DPG Frühjahrstagung 2011, Dresden, Germany (2011)
  6. 11.
    Talk
    von Pezold, J.; Udyansky, A.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-Induced Metal-Hydrogen Interactions across the First Transition Series – An Ab Initio Study of Hydrogen Embrittlement. TMS 2011 Meeting, San Diego, CA, USA (2011)
  7. 12.
    Talk
    Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of hydrogen in 3d transition metals in dilute limit, derived from first principles. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
  8. 13.
    Talk
    von Pezold, J.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the 1st transition series: An ab initio study of hydrogen embrittlement. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
  9. 14.
    Talk
    von Pezold, J.; Aydin, U.; Hickel, T.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the 1st transition series: An ab initio study of hydrogen embrittlement. APS March Meeting 2010, Portland, OR, USA (2010)
  10. 15.
    Talk
    Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends for the solution enthalpy of hydrogen in 3d transition metals. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
  11. 16.
    Talk
    von Pezold, J.; Aydin, U.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the first transition series - An ab initio study of hydrogen embrittlement. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
  12. 17.
    Talk
    Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Universal trends for the solubility of hydrogen in non-magnetic 3d transition metals derived from first principles. DPG Spring meeting, Dresden, Germany (2009)
  13. 18.
    Talk
    Aydin, U.; Ismer, L.; Hickel, T.: Ab initio study of trends in the thermodynamic and kinetic properties of H in 3d transition metals. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Poster (6)

  1. 19.
    Poster
    Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. ADIS Conference 2012, Ringberg, Germany (2012)
  2. 20.
    Poster
    Aydin, U.; Hickel, T.; Neugebauer, J.: Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
 
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