Publications

Publications

Talk (383)

  1. 181.
    Talk
    Hickel, T.: New Insights into H trapping and Diffusion in Metallic Microstructures Obtained from Atomistic Simulations. 2016 International Hydrogen Conference, Jackson Lake Lodge, Moran, WY, USA (2016)
  2. 182.
    Talk
    Dutta, B.; Hickel, T.; Neugebauer, J.: Intermartensitic Phase Boundaries in Ni–Mn–Ga Alloys: A Viewpoint from Ab initio Thermodynamics. 5th International Conference on Ferromagnetic Shape Memory Alloys, Sendai, Japan (2016)
  3. 183.
    Talk
    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. Materials Science and Engineering 2016 (MSE), Darmstadt, Germany (2016)
  4. 184.
    Talk
    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. International Conference on Advanced Materials Modelling (ICAMM), Rennes, France (2016)
  5. 185.
    Talk
    Grabowski, B.: Discovery of an ordered hexagonal superstructure in an Al–Hf–Sc–Ti–Zr high entropy alloy. Seminar at University of Münster, Münster, Germany (2016)
  6. 186.
    Talk
    Ponge, D.; Gault, B.; Herbig, M.; Liebscher, C.; Kuzmina, M.; Dehm, G.; Welsch, E. D.; Yao, M.; Hickel, T.; Li, Z. et al.; Tasan, C. C.; Neugebauer, J.; Scheu, C.; Stoffers, A.; Sandlöbes, S.; Raabe, D.: Chemo-Mechanics at Lattice Defects: from Mechanisms to Bulk Alloys. Gordon Research Conference on Thin Film & Small Scale Mechanical Behavior, Lewiston, ME, USA (2016)
  7. 187.
    Talk
    Dutta, B.; Hickel, T.; Neugebauer, J.: Martensitic transformation in metamagnetic NiMnAl-based alloys: Insights for magnetocaloric properties. 2nd German-Dutch Workshop on Computational Materials Science, Domburg, The Netherlands (2016)
  8. 188.
    Talk
    Zhu, L.-F.; Grabowski, B.; Neugebauer, J.: Development of methodologies to efficiently compute melting properties fully from ab initio. 2nd German-Dutch Workshop on Computational Materials Science, Domburg, The Netherlands (2016)
  9. 189.
    Talk
    Dutta, B.; Hickel, T.; Neugebauer, J.: Phase diagrams in magnetic shape memory alloys: Insights obtained from ab initio thermodynamics. The forty-fifth International Conference on Computer Coupling of Phase Diagrams and Thermochemistry, Awaji Island, Hyogo, Japan (2016)
  10. 190.
    Talk
    Grabowski, B.: Entwicklung von quantenmechanischen Simulationsmethoden für das Design moderner metallischer Werkstoffe. Seminar at University Paderborn, Paderborn, Germany (2016)
  11. 191.
    Talk
    Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: An ab-initio prediction of the off-stoichiometry of Fe–Mn–Al–C κ carbides. CALPHAD XLV, Awaji Island, Hyogo, Japan (2016)
  12. 192.
    Talk
    Dutta, B.; Debashish, D.; Ghosh, S.; Sanyal, B.; Hickel, T.; Neugebauer, J.: Intricacies of phonon line shapes in random alloys: A first-principles study. DPG Spring Meeting of the Condensed Matter Section, Regensburg, Germany (2016)
  13. 193.
    Talk
    Dey, P.; Nazarov, R.; Dutta, B.; Yao, M.; Herbig, M.; Friák, M.; Hickel, T.; Raabe, D.; Neugebauer, J.: Origin of the off-stoichiometry of Fe–Mn–Al–C κ carbides: An ab-initio explanation of atom probe tomography data. DPG 2016, Regensburg, Germany (2016)
  14. 194.
    Talk
    Dutta, B.; Begum, V.; Hickel, T.; Neugebauer, J.: Impact of point defects on the phase stability in Heusler alloys: A first-principles study. DPG Spring Meeting of the Condensed Matter Section, Regensburg, Germany (2016)
  15. 195.
    Talk
    Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Heat capacity of the quaternary Q phase in Al–Cu–Mg–Si: A combined ab-initio, phonon and compound energy formalism approach. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)
  16. 196.
    Talk
    Körmann, F.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Lattice excitations in magnetic alloys: Recent advances in ab initio modeling of coupled spin and atomic fluctuations. TMS Annual Meeting 2016, Nashville, TN, USA (2016)
  17. 197.
    Talk
    Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The origin of anharmonicity in fcc solids. TMS 2016, Nashville, TN, USA (2016)
  18. 198.
    Talk
    Yao, M.; Dey, P.; Welsch, E. D.; Choi, P.-P.; Herbig, M.; Gault, B.; Seol, J. B.; Marceau, R. K. W.: Atomistic understanding of structure and deformation of nano-sized kappa-carbide precipitates in light-weight steels. APT&M 2016, The 55th International Conference on Atom Probe Tomography & Microscopy, Gyeongju, South Korea (2016)
  19. 199.
    Talk
    Grabowski, B.: Modern materials design from first-principles: Recent progress and future prospects. Seminar, Imperial College London, London, UK (2015)
  20. 200.
    Talk
    Grabowski, B.: Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one. ICAMS Seminar, Ruhr-University Bochum, Bochum, Germany (2015)
 
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